From 90f77f6bc8eb28758be6c88e81173a7d89cd29b7 Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Wed, 18 Jun 2025 23:46:30 +0800 Subject: [PATCH 1/2] Rename module_base to source_base --- CMakeLists.txt | 2 +- docs/CONTRIBUTING.md | 4 +- python/pyabacus/CMakeLists.txt | 6 +- python/pyabacus/CONTRIBUTING.md | 6 +- python/pyabacus/examples/indexmap.py | 2 +- .../pyabacus/src/ModuleBase/py_base_math.cpp | 6 +- python/pyabacus/src/ModuleNAO/CMakeLists.txt | 10 +-- python/pyabacus/src/ModuleNAO/py_m_nao.cpp | 2 +- python/pyabacus/src/hsolver/py_diago_cg.hpp | 2 +- python/pyabacus/src/hsolver/py_hsolver.cpp | 4 +- source/CMakeLists.txt | 30 ++++----- source/Makefile.Objects | 16 ++--- source/module_basis/module_ao/ORB_atomic.h | 4 +- .../module_basis/module_ao/ORB_atomic_lm.cpp | 14 ++--- source/module_basis/module_ao/ORB_atomic_lm.h | 4 +- .../module_ao/ORB_gaunt_table.cpp | 14 ++--- .../module_basis/module_ao/ORB_gaunt_table.h | 4 +- .../module_basis/module_ao/ORB_nonlocal.cpp | 2 +- source/module_basis/module_ao/ORB_nonlocal.h | 4 +- .../module_ao/ORB_nonlocal_lm.cpp | 14 ++--- source/module_basis/module_ao/ORB_read.cpp | 8 +-- .../module_ao/parallel_orbitals.cpp | 6 +- .../module_ao/parallel_orbitals.h | 2 +- .../module_ao/test/1_snap_equal_test.cpp | 2 +- .../module_ao/test/CMakeLists.txt | 58 +++++++++--------- .../module_ao/test/ORB_atomic_lm_test.cpp | 2 +- .../module_ao/test/ORB_nonlocal_lm_test.cpp | 6 +- .../module_ao/test/ORB_nonlocal_test.cpp | 2 +- .../module_ao/test/ORB_read_test.cpp | 2 +- .../module_ao/test/ORB_unittest.h | 2 +- .../module_nao/atomic_radials.cpp | 8 +-- .../module_basis/module_nao/beta_radials.cpp | 6 +- .../module_nao/hydrogen_radials.cpp | 6 +- .../module_nao/hydrogen_radials.h | 2 +- .../module_nao/numerical_radial.cpp | 10 +-- .../module_nao/numerical_radial.h | 2 +- .../module_basis/module_nao/pswfc_radials.cpp | 6 +- .../module_nao/radial_collection.cpp | 8 +-- source/module_basis/module_nao/radial_set.cpp | 2 +- source/module_basis/module_nao/radial_set.h | 2 +- .../module_nao/real_gaunt_table.cpp | 2 +- .../module_nao/sphbes_radials.cpp | 6 +- .../module_nao/test/atomic_radials_test.cpp | 6 +- .../module_nao/test/beta_radials_test.cpp | 4 +- .../module_nao/test/hydrogen_radials_test.cpp | 2 +- .../module_nao/test/numerical_radial_test.cpp | 4 +- .../module_nao/test/projgen_test.cpp | 8 +-- .../test/radial_collection_test.cpp | 2 +- .../module_nao/test/real_gaunt_table_test.cpp | 2 +- .../module_nao/test/sphbes_radials_test.cpp | 4 +- .../test/two_center_bundle_test.cpp | 4 +- .../test/two_center_integrator_test.cpp | 10 +-- .../module_nao/test/two_center_table_test.cpp | 6 +- .../module_nao/two_center_bundle.cpp | 8 +-- .../module_nao/two_center_integrator.cpp | 6 +- .../module_nao/two_center_integrator.h | 2 +- .../module_nao/two_center_table.cpp | 6 +- .../module_nao/two_center_table.h | 2 +- .../module_pw/kernels/test/CMakeLists.txt | 12 ++-- .../module_pw/kernels/test/pw_op_test.cpp | 2 +- .../module_pw/module_fft/fft_bundle.cpp | 6 +- .../module_pw/module_fft/fft_cuda.cpp | 2 +- .../module_pw/module_fft/fft_dsp.cpp | 2 +- .../module_pw/module_fft/fft_rocm.cpp | 2 +- source/module_basis/module_pw/pw_basis.cpp | 6 +- source/module_basis/module_pw/pw_basis.h | 10 +-- source/module_basis/module_pw/pw_basis_big.h | 4 +- source/module_basis/module_pw/pw_basis_k.cpp | 6 +- source/module_basis/module_pw/pw_basis_k.h | 2 +- .../module_basis/module_pw/pw_basis_k_big.h | 4 +- .../module_basis/module_pw/pw_basis_sup.cpp | 2 +- source/module_basis/module_pw/pw_basis_sup.h | 2 +- .../module_basis/module_pw/pw_distributeg.cpp | 6 +- .../module_pw/pw_distributeg_method1.cpp | 4 +- .../module_pw/pw_distributeg_method2.cpp | 4 +- .../module_basis/module_pw/pw_distributer.cpp | 2 +- .../module_basis/module_pw/pw_gatherscatter.h | 4 +- source/module_basis/module_pw/pw_init.cpp | 2 +- .../module_basis/module_pw/pw_transform.cpp | 4 +- .../module_pw/pw_transform_gpu.cpp | 2 +- .../module_basis/module_pw/pw_transform_k.cpp | 2 +- .../module_pw/pw_transform_k_dsp.cpp | 2 +- .../module_pw/test/CMakeLists.txt | 10 +-- source/module_basis/module_pw/test/Makefile | 10 +-- .../module_basis/module_pw/test/generate.cpp | 6 +- .../module_basis/module_pw/test/test-big.cpp | 6 +- .../module_pw/test/test-other.cpp | 8 +-- .../module_basis/module_pw/test/test1-1-1.cpp | 6 +- .../module_basis/module_pw/test/test1-1-2.cpp | 6 +- .../module_basis/module_pw/test/test1-2-2.cpp | 6 +- .../module_basis/module_pw/test/test1-2.cpp | 6 +- .../module_basis/module_pw/test/test1-3.cpp | 6 +- .../module_basis/module_pw/test/test1-4.cpp | 6 +- .../module_basis/module_pw/test/test1-5.cpp | 6 +- .../module_basis/module_pw/test/test2-1-1.cpp | 6 +- .../module_basis/module_pw/test/test2-1-2.cpp | 6 +- .../module_basis/module_pw/test/test2-2.cpp | 6 +- .../module_basis/module_pw/test/test2-3.cpp | 6 +- .../module_basis/module_pw/test/test3-1.cpp | 6 +- .../module_basis/module_pw/test/test3-2.cpp | 6 +- .../module_basis/module_pw/test/test3-3-2.cpp | 6 +- .../module_basis/module_pw/test/test3-3.cpp | 6 +- .../module_basis/module_pw/test/test4-1.cpp | 6 +- .../module_basis/module_pw/test/test4-2.cpp | 6 +- .../module_basis/module_pw/test/test4-3.cpp | 6 +- .../module_basis/module_pw/test/test4-4.cpp | 6 +- .../module_basis/module_pw/test/test4-5.cpp | 6 +- .../module_basis/module_pw/test/test5-1-1.cpp | 6 +- .../module_basis/module_pw/test/test5-1-2.cpp | 6 +- .../module_basis/module_pw/test/test5-2-1.cpp | 6 +- .../module_basis/module_pw/test/test5-2-2.cpp | 6 +- .../module_basis/module_pw/test/test5-3-1.cpp | 6 +- .../module_basis/module_pw/test/test5-4-1.cpp | 6 +- .../module_basis/module_pw/test/test5-4-2.cpp | 6 +- .../module_basis/module_pw/test/test6-1-1.cpp | 6 +- .../module_basis/module_pw/test/test6-1-2.cpp | 6 +- .../module_basis/module_pw/test/test6-2-1.cpp | 6 +- .../module_basis/module_pw/test/test6-2-2.cpp | 6 +- .../module_basis/module_pw/test/test6-3-1.cpp | 6 +- .../module_basis/module_pw/test/test6-4-1.cpp | 6 +- .../module_basis/module_pw/test/test6-4-2.cpp | 6 +- .../module_basis/module_pw/test/test7-1.cpp | 6 +- .../module_basis/module_pw/test/test7-2-1.cpp | 6 +- .../module_basis/module_pw/test/test7-3-1.cpp | 6 +- .../module_basis/module_pw/test/test7-3-2.cpp | 6 +- .../module_basis/module_pw/test/test8-1.cpp | 6 +- .../module_basis/module_pw/test/test8-2-1.cpp | 6 +- .../module_basis/module_pw/test/test8-3-1.cpp | 6 +- .../module_basis/module_pw/test/test8-3-2.cpp | 6 +- .../module_basis/module_pw/test/test_sup.cpp | 6 +- .../module_pw/test_gpu/pw_basis_C2C.cpp | 4 +- .../module_pw/test_gpu/pw_basis_C2R.cpp | 4 +- .../module_pw/test_gpu/pw_basis_k_C2C.cpp | 4 +- .../module_pw/test_serial/pw_basis_k_test.cpp | 6 +- .../module_pw/test_serial/pw_basis_test.cpp | 6 +- source/module_cell/atom_pseudo.cpp | 2 +- source/module_cell/atom_pseudo.h | 8 +-- source/module_cell/atom_spec.cpp | 2 +- source/module_cell/bcast_cell.cpp | 2 +- source/module_cell/cell_index.cpp | 4 +- source/module_cell/check_atomic_stru.cpp | 4 +- source/module_cell/k_vector_utils.cpp | 10 +-- source/module_cell/k_vector_utils.h | 4 +- source/module_cell/klist.cpp | 10 +-- source/module_cell/klist.h | 6 +- .../module_cell/module_neighbor/sltk_atom.h | 2 +- .../module_neighbor/sltk_atom_arrange.cpp | 2 +- .../module_cell/module_neighbor/sltk_grid.cpp | 8 +-- .../module_neighbor/sltk_grid_driver.cpp | 6 +- .../module_neighbor/sltk_grid_driver.h | 6 +- .../module_neighbor/test/prepare_unitcell.h | 2 +- .../module_symmetry/run_symmetry.cpp | 4 +- .../module_cell/module_symmetry/symm_other.h | 4 +- .../module_cell/module_symmetry/symm_rho.cpp | 2 +- source/module_cell/module_symmetry/symmetry.h | 6 +- .../module_symmetry/symmetry_basic.cpp | 2 +- .../module_symmetry/symmetry_basic.h | 6 +- .../module_symmetry/test/symmetry_test.h | 2 +- source/module_cell/parallel_kpoints.cpp | 4 +- source/module_cell/parallel_kpoints.h | 8 +-- source/module_cell/print_cell.cpp | 6 +- source/module_cell/pseudo.cpp | 2 +- source/module_cell/pseudo.h | 2 +- source/module_cell/read_atom_species.cpp | 2 +- source/module_cell/read_atoms.cpp | 8 +-- source/module_cell/read_pp.cpp | 2 +- source/module_cell/read_pp.h | 4 +- source/module_cell/read_pp_blps.cpp | 4 +- source/module_cell/read_stru.cpp | 6 +- source/module_cell/setup_nonlocal.cpp | 4 +- source/module_cell/setup_nonlocal.h | 4 +- source/module_cell/test/CMakeLists.txt | 4 +- source/module_cell/test/klist_test.cpp | 4 +- source/module_cell/test/klist_test_para.cpp | 4 +- .../test/parallel_kpoints_test.cpp | 2 +- source/module_cell/test/unitcell_test.cpp | 4 +- .../module_cell/test/unitcell_test_para.cpp | 4 +- .../module_cell/test/unitcell_test_readpp.cpp | 4 +- .../test/unitcell_test_setupcell.cpp | 4 +- .../module_cell/test_pw/unitcell_test_pw.cpp | 4 +- source/module_cell/unitcell.cpp | 14 ++--- source/module_cell/unitcell.h | 4 +- source/module_cell/unitcell_data.h | 4 +- source/module_cell/update_cell.cpp | 2 +- source/module_elecstate/cal_dm.h | 6 +- source/module_elecstate/cal_nelec_nband.cpp | 2 +- source/module_elecstate/elecstate.cpp | 8 +-- source/module_elecstate/elecstate_energy.cpp | 4 +- source/module_elecstate/elecstate_lcao.cpp | 2 +- .../elecstate_lcao_cal_tau.cpp | 2 +- source/module_elecstate/elecstate_print.cpp | 6 +- source/module_elecstate/elecstate_pw.cpp | 12 ++-- source/module_elecstate/elecstate_pw.h | 4 +- source/module_elecstate/elecstate_pw_sdft.cpp | 6 +- source/module_elecstate/elecstate_tools.h | 2 +- source/module_elecstate/fp_energy.cpp | 4 +- .../kernels/test/elecstate_op_test.cpp | 2 +- source/module_elecstate/magnetism.cpp | 2 +- source/module_elecstate/magnetism.h | 6 +- source/module_elecstate/math_tools.h | 10 +-- .../module_elecstate/module_charge/charge.cpp | 16 ++--- .../module_elecstate/module_charge/charge.h | 8 +-- .../module_charge/charge_extra.cpp | 8 +-- .../module_charge/charge_init.cpp | 18 +++--- .../module_charge/charge_mixing.cpp | 6 +- .../module_charge/charge_mixing.h | 4 +- .../module_charge/charge_mixing_dmr.cpp | 2 +- .../charge_mixing_preconditioner.cpp | 2 +- .../module_charge/charge_mixing_residual.cpp | 4 +- .../module_charge/charge_mixing_rho.cpp | 2 +- .../module_charge/charge_mpi.cpp | 8 +-- .../module_charge/symmetry_rhog.cpp | 2 +- .../module_elecstate/module_dm/cal_dm_psi.cpp | 6 +- .../module_elecstate/module_dm/cal_dm_psi.h | 2 +- .../module_dm/cal_edm_tddft.cpp | 4 +- .../module_dm/density_matrix.cpp | 8 +-- .../module_dm/density_matrix_io.cpp | 8 +-- .../module_dm/test/prepare_unitcell.h | 2 +- .../module_pot/H_Hartree_pw.cpp | 6 +- .../module_pot/H_Hartree_pw.h | 6 +- .../module_pot/H_TDDFT_pw.cpp | 6 +- source/module_elecstate/module_pot/efield.cpp | 8 +-- .../module_elecstate/module_pot/gatefield.cpp | 2 +- source/module_elecstate/module_pot/pot_base.h | 4 +- .../module_elecstate/module_pot/pot_local.cpp | 4 +- .../module_elecstate/module_pot/pot_local.h | 2 +- .../module_pot/pot_local_paw.cpp | 4 +- .../module_pot/pot_local_paw.h | 2 +- source/module_elecstate/module_pot/pot_xc.cpp | 2 +- .../module_pot/potential_new.cpp | 12 ++-- .../module_pot/potential_new.h | 2 +- .../module_pot/potential_types.cpp | 12 ++-- source/module_elecstate/occupy.cpp | 6 +- source/module_elecstate/occupy.h | 8 +-- source/module_elecstate/read_orb.cpp | 2 +- source/module_elecstate/read_pseudo.cpp | 6 +- source/module_elecstate/test/CMakeLists.txt | 2 +- .../test/charge_mixing_test.cpp | 2 +- .../module_elecstate/test/prepare_unitcell.h | 2 +- .../test_mpi/charge_mpi_test.cpp | 4 +- .../module_ewald/H_Ewald_pw.cpp | 8 +-- .../module_ewald/H_Ewald_pw.h | 4 +- .../module_surchem/H_correction_pw.cpp | 6 +- .../module_surchem/cal_vcav.cpp | 2 +- .../module_surchem/cal_vel.cpp | 2 +- .../module_surchem/sol_force.cpp | 2 +- .../module_surchem/surchem.h | 10 +-- .../module_surchem/test/cal_epsilon_test.cpp | 10 +-- .../module_surchem/test/cal_pseudo_test.cpp | 2 +- .../module_surchem/test/cal_totn_test.cpp | 2 +- .../module_surchem/test/cal_vcav_test.cpp | 2 +- .../module_surchem/test/cal_vel_test.cpp | 2 +- .../module_vdw/test/vdw_test.cpp | 4 +- .../module_hamilt_general/module_vdw/vdw.cpp | 2 +- .../module_vdw/vdw_parameters.h | 2 +- .../module_vdw/vdwd2.cpp | 2 +- .../module_vdw/vdwd3.cpp | 8 +-- .../module_vdw/vdwd3_autoset_xcname.cpp | 4 +- .../module_vdw/vdwd3_autoset_xcparam.cpp | 4 +- .../module_vdw/vdwd3_parameters.cpp | 2 +- .../module_vdw/vdwd3_parameters_tab.cpp | 2 +- .../kernels/cuda/xc_functional_op.cu | 2 +- .../kernels/rocm/xc_functional_op.hip.cu | 2 +- .../module_xc/kernels/xc_functional_op.h | 2 +- .../module_xc/test/CMakeLists.txt | 22 +++---- .../module_xc/test/test_xc3.cpp | 2 +- .../module_xc/test/test_xc5.cpp | 4 +- .../module_xc/xc_functional.cpp | 2 +- .../module_xc/xc_functional.h | 10 +-- .../module_xc/xc_functional_gradcorr.cpp | 2 +- .../module_xc/xc_functional_libxc.cpp | 4 +- .../module_xc/xc_functional_libxc.h | 4 +- .../module_xc/xc_functional_libxc_vxc.cpp | 8 +-- .../module_xc/xc_functional_vxc.cpp | 4 +- .../module_xc/xc_functional_wrapper_gcxc.cpp | 2 +- source/module_hamilt_general/operator.cpp | 2 +- source/module_hamilt_general/operator.h | 4 +- .../module_hamilt_lcao/hamilt_lcaodft/FORCE.h | 6 +- .../hamilt_lcaodft/FORCE_STRESS.cpp | 4 +- .../hamilt_lcaodft/FORCE_STRESS.h | 6 +- .../hamilt_lcaodft/FORCE_gamma.cpp | 6 +- .../hamilt_lcaodft/FORCE_k.cpp | 8 +-- .../hamilt_lcaodft/LCAO_HS_arrays.hpp | 2 +- .../hamilt_lcaodft/LCAO_allocate.cpp | 2 +- .../hamilt_lcaodft/LCAO_domain.h | 6 +- .../hamilt_lcaodft/LCAO_hamilt.hpp | 6 +- .../hamilt_lcaodft/LCAO_nl_mu.cpp | 2 +- .../hamilt_lcaodft/LCAO_set_st.cpp | 2 +- .../hamilt_lcaodft/LCAO_set_zero.cpp | 6 +- .../hamilt_lcaodft/center2_orb-orb11.cpp | 10 +-- .../hamilt_lcaodft/center2_orb-orb11.h | 4 +- .../hamilt_lcaodft/center2_orb-orb21.cpp | 4 +- .../hamilt_lcaodft/center2_orb-orb21.h | 2 +- .../hamilt_lcaodft/center2_orb-orb22.h | 2 +- .../hamilt_lcaodft/center2_orb.cpp | 16 ++--- .../hamilt_lcaodft/center2_orb.h | 2 +- .../module_hamilt_lcao/hamilt_lcaodft/edm.cpp | 2 +- .../hamilt_lcaodft/grid_init.cpp | 6 +- .../hamilt_lcaodft/hamilt_lcao.cpp | 6 +- .../operator_lcao/deepks_lcao.cpp | 4 +- .../operator_lcao/dftu_force_stress.hpp | 4 +- .../operator_lcao/dftu_lcao.cpp | 6 +- .../operator_lcao/dspin_force_stress.hpp | 4 +- .../operator_lcao/dspin_lcao.cpp | 10 +-- .../operator_lcao/ekinetic_new.cpp | 4 +- .../operator_lcao/meta_lcao.cpp | 4 +- .../hamilt_lcaodft/operator_lcao/meta_lcao.h | 2 +- .../operator_lcao/nonlocal_force_stress.hpp | 4 +- .../operator_lcao/nonlocal_new.cpp | 4 +- .../operator_lcao/op_dftu_lcao.cpp | 4 +- .../operator_lcao/op_dftu_lcao.h | 2 +- .../operator_lcao/op_exx_lcao.cpp | 2 +- .../operator_lcao/operator_lcao.cpp | 4 +- .../operator_lcao/operator_lcao.h | 2 +- .../operator_lcao/overlap_new.cpp | 4 +- .../operator_lcao/td_ekinetic_lcao.cpp | 8 +-- .../operator_lcao/td_ekinetic_lcao.h | 2 +- .../operator_lcao/td_nonlocal_lcao.cpp | 4 +- .../operator_lcao/veff_lcao.cpp | 4 +- .../hamilt_lcaodft/operator_lcao/veff_lcao.h | 2 +- .../pulay_force_stress_center2_template.hpp | 2 +- .../hamilt_lcaodft/record_adj.cpp | 2 +- .../hamilt_lcaodft/spar_u.cpp | 4 +- .../hamilt_lcaodft/stress_tools.h | 2 +- .../hamilt_lcaodft/wavefunc_in_pw.cpp | 8 +-- .../hamilt_lcaodft/wavefunc_in_pw.h | 10 +-- .../module_deepks/LCAO_deepks.h | 8 +-- .../module_deepks/LCAO_deepks_interface.cpp | 4 +- .../module_deepks/LCAO_deepks_interface.h | 4 +- .../module_deepks/LCAO_deepks_io.cpp | 2 +- .../module_deepks/LCAO_deepks_io.h | 6 +- .../module_deepks/deepks_basic.cpp | 4 +- .../module_deepks/deepks_basic.h | 4 +- .../module_deepks/deepks_descriptor.cpp | 8 +-- .../module_deepks/deepks_descriptor.h | 4 +- .../module_deepks/deepks_force.cpp | 8 +-- .../module_deepks/deepks_force.h | 8 +-- .../module_deepks/deepks_fpre.cpp | 10 +-- .../module_deepks/deepks_fpre.h | 8 +-- .../module_deepks/deepks_iterate.h | 10 +-- .../module_deepks/deepks_orbital.cpp | 4 +- .../module_deepks/deepks_orbital.h | 8 +-- .../module_deepks/deepks_orbpre.cpp | 8 +-- .../module_deepks/deepks_orbpre.h | 8 +-- .../module_deepks/deepks_pdm.cpp | 8 +-- .../module_deepks/deepks_pdm.h | 6 +- .../module_deepks/deepks_phialpha.cpp | 4 +- .../module_deepks/deepks_phialpha.h | 6 +- .../module_deepks/deepks_spre.cpp | 10 +-- .../module_deepks/deepks_spre.h | 8 +-- .../module_deepks/deepks_vdelta.cpp | 8 +-- .../module_deepks/deepks_vdelta.h | 4 +- .../module_deepks/deepks_vdpre.cpp | 8 +-- .../module_deepks/deepks_vdpre.h | 8 +-- .../module_deepks/deepks_vdrpre.cpp | 8 +-- .../module_deepks/deepks_vdrpre.h | 8 +-- .../module_deepks/test/LCAO_deepks_test.h | 4 +- .../test/LCAO_deepks_test_prep.cpp | 2 +- .../module_deepks/test/Makefile | 2 +- .../module_deepks/test/klist.h | 8 +-- .../module_deepks/test/parallel_orbitals.h | 6 +- .../module_deltaspin/basic_funcs.cpp | 4 +- .../module_deltaspin/basic_funcs.h | 2 +- .../module_deltaspin/cal_mw.cpp | 10 +-- .../module_deltaspin/cal_mw_from_lambda.cpp | 8 +-- .../module_deltaspin/spin_constrain.cpp | 2 +- .../module_deltaspin/spin_constrain.h | 8 +-- .../module_deltaspin/test/prepare_unitcell.h | 2 +- .../module_hamilt_lcao/module_dftu/dftu.cpp | 12 ++-- .../module_dftu/dftu_folding.cpp | 2 +- .../module_dftu/dftu_force.cpp | 10 +-- .../module_dftu/dftu_hamilt.cpp | 4 +- .../module_dftu/dftu_io.cpp | 2 +- .../module_dftu/dftu_occup.cpp | 4 +- .../module_dftu/dftu_pw.cpp | 4 +- .../module_dftu/dftu_tools.cpp | 2 +- .../module_dftu/dftu_yukawa.cpp | 4 +- .../module_gint/cal_ddpsir_ylm.cpp | 4 +- .../module_gint/cal_dpsir_ylm.cpp | 6 +- .../module_gint/cal_psir_ylm.cpp | 4 +- .../module_hamilt_lcao/module_gint/gint.cpp | 4 +- .../module_gint/gint_force_cpu_interface.cpp | 4 +- .../module_gint/gint_force_gpu.cu | 2 +- .../module_gint/gint_fvl.cpp | 6 +- .../module_gint/gint_gamma.h | 4 +- .../module_gint/gint_gamma_env.cpp | 6 +- .../module_gint/gint_gamma_vl.cpp | 6 +- .../module_gint/gint_gpu_interface.cpp | 4 +- .../module_hamilt_lcao/module_gint/gint_k.h | 2 +- .../module_gint/gint_k_env.cpp | 8 +-- .../module_gint/gint_k_pvdpr.cpp | 14 ++--- .../module_gint/gint_k_pvpr.cpp | 16 ++--- .../module_gint/gint_k_sparse1.cpp | 12 ++-- .../module_gint/gint_rho.cpp | 12 ++-- .../module_gint/gint_rho_cpu_interface.cpp | 4 +- .../module_gint/gint_rho_gpu.cu | 2 +- .../module_gint/gint_tau.cpp | 14 ++--- .../module_gint/gint_tools.cpp | 6 +- .../module_gint/gint_tools.h | 2 +- .../module_gint/gint_vl.cpp | 14 ++--- .../module_gint/gint_vl_cpu_interface.cpp | 4 +- .../module_gint/gint_vl_gpu.cu | 2 +- .../module_gint/grid_bigcell.cpp | 4 +- .../module_gint/grid_bigcell.h | 6 +- .../module_gint/grid_meshball.cpp | 2 +- .../module_gint/grid_meshcell.cpp | 2 +- .../module_gint/grid_meshcell.h | 6 +- .../module_gint/grid_meshk.h | 6 +- .../module_gint/grid_technique.cpp | 6 +- .../module_gint/gtask_force.cpp | 4 +- .../module_gint/gtask_rho.cpp | 4 +- .../module_gint/gtask_vl.cpp | 4 +- .../module_gint/init_orb.cpp | 2 +- .../module_gint/kernels/cuda/gemm_selector.cu | 2 +- .../module_gint/kernels/cuda/gint_force.cu | 2 +- .../kernels/cuda/vbatch_matrix_mul.cuh | 2 +- .../module_gint/mult_psi_dmr.cpp | 6 +- .../module_gint/temp_gint/gint_atom.cpp | 4 +- .../module_gint/temp_gint/gint_fvl.cpp | 2 +- .../module_gint/temp_gint/gint_fvl.h | 2 +- .../module_gint/temp_gint/gint_fvl_meta.cpp | 2 +- .../module_gint/temp_gint/gint_fvl_meta.h | 2 +- .../module_gint/temp_gint/gint_helper.h | 2 +- .../module_gint/temp_gint/gint_info.cpp | 2 +- .../module_gint/temp_gint/gint_interface.cpp | 2 +- .../module_gint/temp_gint/gint_rho.cpp | 2 +- .../module_gint/temp_gint/gint_tau.cpp | 2 +- .../module_gint/temp_gint/gint_type.h | 4 +- .../module_gint/temp_gint/gint_vl.cpp | 2 +- .../module_gint/temp_gint/gint_vl_metagga.cpp | 2 +- .../temp_gint/gint_vl_metagga_nspin4.cpp | 4 +- .../module_gint/temp_gint/gint_vl_nspin4.cpp | 4 +- .../module_gint/temp_gint/phi_operator.cpp | 4 +- .../module_gint/temp_gint/phi_operator.hpp | 4 +- .../module_gint/temp_gint/set_ddphi.cpp | 6 +- .../module_gint/test/test_sph.cu | 2 +- .../module_hcontainer/atom_pair.cpp | 2 +- .../module_hcontainer/atom_pair.h | 2 +- .../module_hcontainer/base_matrix.cpp | 2 +- .../module_hcontainer/func_folding.cpp | 2 +- .../module_hcontainer/hcontainer.h | 2 +- .../module_hcontainer/test/prepare_unitcell.h | 2 +- .../module_hcontainer/transfer.cpp | 4 +- .../module_hcontainer/transfer.h | 2 +- .../module_tddft/band_energy.cpp | 6 +- .../module_tddft/band_energy.h | 2 +- .../module_tddft/evolve_elec.cpp | 4 +- .../module_tddft/evolve_elec.h | 14 ++--- .../module_tddft/evolve_psi.cpp | 8 +-- .../module_tddft/evolve_psi.h | 4 +- .../module_tddft/middle_hamilt.cpp | 8 +-- .../module_tddft/middle_hamilt.h | 2 +- .../module_tddft/norm_psi.cpp | 6 +- .../module_tddft/norm_psi.h | 2 +- .../module_tddft/propagator.cpp | 12 ++-- .../module_tddft/propagator.h | 4 +- .../module_tddft/propagator_cn2.cpp | 12 ++-- .../module_tddft/propagator_etrs.cpp | 12 ++-- .../module_tddft/propagator_taylor.cpp | 12 ++-- .../module_tddft/snap_psibeta_half_tddft.cpp | 10 +-- .../module_tddft/snap_psibeta_half_tddft.h | 2 +- .../module_tddft/solve_propagation.cpp | 4 +- .../module_tddft/td_current.cpp | 4 +- .../module_tddft/td_current.h | 2 +- .../module_tddft/td_velocity.h | 4 +- .../module_tddft/test/band_energy_test.cpp | 2 +- .../module_tddft/test/middle_hamilt_test.cpp | 4 +- .../module_tddft/test/norm_psi_test.cpp | 4 +- .../module_tddft/test/propagator_test1.cpp | 2 +- .../module_tddft/test/propagator_test2.cpp | 2 +- .../module_tddft/test/propagator_test3.cpp | 2 +- .../module_tddft/test/tddft_test.cpp | 4 +- .../module_tddft/test/upsi_test1.cpp | 4 +- .../module_tddft/test/upsi_test2.cpp | 4 +- .../module_tddft/test/upsi_test3.cpp | 4 +- .../module_hamilt_lcao/module_tddft/upsi.cpp | 6 +- source/module_hamilt_lcao/module_tddft/upsi.h | 2 +- .../hamilt_ofdft/kedf_lkt.cpp | 2 +- .../module_hamilt_pw/hamilt_ofdft/kedf_lkt.h | 8 +-- .../module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp | 4 +- .../hamilt_ofdft/kedf_ml_pot.cpp | 4 +- .../module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp | 2 +- .../module_hamilt_pw/hamilt_ofdft/kedf_tf.h | 8 +-- .../module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp | 2 +- .../module_hamilt_pw/hamilt_ofdft/kedf_vw.h | 8 +-- .../module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp | 6 +- .../module_hamilt_pw/hamilt_ofdft/kedf_wt.h | 8 +-- .../hamilt_ofdft/of_stress_pw.cpp | 2 +- .../hamilt_pwdft/VL_in_pw.cpp | 6 +- .../module_hamilt_pw/hamilt_pwdft/VL_in_pw.h | 6 +- .../hamilt_pwdft/VNL_grad_pw.cpp | 10 +-- .../hamilt_pwdft/VNL_in_pw.cpp | 20 +++--- .../module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h | 8 +-- .../module_hamilt_pw/hamilt_pwdft/elecond.cpp | 8 +-- .../module_hamilt_pw/hamilt_pwdft/elecond.h | 2 +- .../module_hamilt_pw/hamilt_pwdft/forces.cpp | 12 ++-- source/module_hamilt_pw/hamilt_pwdft/forces.h | 10 +-- .../hamilt_pwdft/forces_cc.cpp | 12 ++-- .../hamilt_pwdft/forces_nl.cpp | 4 +- .../hamilt_pwdft/forces_onsite.cpp | 4 +- .../hamilt_pwdft/forces_scc.cpp | 12 ++-- .../hamilt_pwdft/forces_us.cpp | 6 +- .../hamilt_pwdft/fs_kin_tools.cpp | 2 +- .../hamilt_pwdft/fs_kin_tools.h | 2 +- .../hamilt_pwdft/fs_nonlocal_tools.cpp | 14 ++--- .../hamilt_pwdft/fs_nonlocal_tools.h | 4 +- source/module_hamilt_pw/hamilt_pwdft/global.h | 4 +- .../hamilt_pwdft/hamilt_pw.cpp | 6 +- .../module_hamilt_pw/hamilt_pwdft/hamilt_pw.h | 4 +- .../hamilt_pwdft/kernels/cuda/force_op.cu | 4 +- .../hamilt_pwdft/kernels/cuda/stress_op.cu | 4 +- .../hamilt_pwdft/kernels/stress_op.cpp | 8 +-- .../hamilt_pwdft/kernels/stress_op.h | 2 +- .../kernels/test/ekinetic_op_test.cpp | 2 +- .../kernels/test/force_op_test.cpp | 2 +- .../kernels/test/meta_op_test.cpp | 2 +- .../kernels/test/nonlocal_op_test.cpp | 2 +- .../kernels/test/stress_op_test.cpp | 2 +- .../kernels/test/veff_op_test.cpp | 2 +- .../hamilt_pwdft/kernels/test/vnl_op_test.cpp | 2 +- .../hamilt_pwdft/kernels/test/wf_op_test.cpp | 2 +- .../hamilt_pwdft/kernels/wf_op.cpp | 2 +- .../module_exx_helper/exx_helper.h | 2 +- .../hamilt_pwdft/nonlocal_maths.hpp | 4 +- .../hamilt_pwdft/onsite_proj_tools.cpp | 10 +-- .../hamilt_pwdft/onsite_proj_tools.h | 4 +- .../hamilt_pwdft/onsite_projector.cpp | 14 ++--- .../hamilt_pwdft/onsite_projector.h | 4 +- .../hamilt_pwdft/operator_pw/ekinetic_pw.cpp | 6 +- .../hamilt_pwdft/operator_pw/ekinetic_pw.h | 2 +- .../hamilt_pwdft/operator_pw/meta_pw.cpp | 4 +- .../hamilt_pwdft/operator_pw/meta_pw.h | 6 +- .../hamilt_pwdft/operator_pw/nonlocal_pw.cpp | 8 +-- .../hamilt_pwdft/operator_pw/nonlocal_pw.h | 2 +- .../operator_pw/onsite_proj_pw.cpp | 8 +-- .../hamilt_pwdft/operator_pw/onsite_proj_pw.h | 2 +- .../hamilt_pwdft/operator_pw/op_exx_pw.cpp | 10 +-- .../hamilt_pwdft/operator_pw/op_exx_pw.h | 8 +-- .../hamilt_pwdft/operator_pw/operator_pw.cpp | 2 +- .../hamilt_pwdft/operator_pw/veff_pw.cpp | 4 +- .../hamilt_pwdft/operator_pw/veff_pw.h | 4 +- .../hamilt_pwdft/operator_pw/velocity_pw.cpp | 6 +- .../hamilt_pwdft/parallel_grid.cpp | 2 +- .../hamilt_pwdft/parallel_grid.h | 4 +- .../hamilt_pwdft/radial_proj.cpp | 12 ++-- .../hamilt_pwdft/radial_proj.h | 4 +- source/module_hamilt_pw/hamilt_pwdft/soc.h | 4 +- .../hamilt_pwdft/stress_func.h | 16 ++--- .../hamilt_pwdft/stress_func_cc.cpp | 4 +- .../hamilt_pwdft/stress_func_ewa.cpp | 6 +- .../hamilt_pwdft/stress_func_gga.cpp | 2 +- .../hamilt_pwdft/stress_func_har.cpp | 2 +- .../hamilt_pwdft/stress_func_kin.cpp | 2 +- .../hamilt_pwdft/stress_func_loc.cpp | 8 +-- .../hamilt_pwdft/stress_func_mgga.cpp | 2 +- .../hamilt_pwdft/stress_func_nl.cpp | 10 +-- .../hamilt_pwdft/stress_func_onsite.cpp | 4 +- .../hamilt_pwdft/stress_func_us.cpp | 8 +-- .../hamilt_pwdft/stress_pw.cpp | 2 +- .../hamilt_pwdft/structure_factor.cpp | 14 ++--- .../hamilt_pwdft/structure_factor.h | 2 +- .../hamilt_pwdft/structure_factor_k.cpp | 6 +- .../hamilt_pwdft/test/CMakeLists.txt | 26 ++++---- .../hamilt_stodft/hamilt_sdft_pw.cpp | 2 +- .../hamilt_stodft/kernels/hpsi_norm_op.cpp | 2 +- .../hamilt_stodft/kernels/hpsi_norm_op.h | 2 +- .../hamilt_stodft/sto_che.cpp | 8 +-- .../module_hamilt_pw/hamilt_stodft/sto_che.h | 6 +- .../hamilt_stodft/sto_dos.cpp | 4 +- .../hamilt_stodft/sto_elecond.cpp | 14 ++--- .../hamilt_stodft/sto_forces.cpp | 8 +-- .../hamilt_stodft/sto_iter.cpp | 12 ++-- .../module_hamilt_pw/hamilt_stodft/sto_iter.h | 2 +- .../hamilt_stodft/sto_stress_pw.cpp | 2 +- .../hamilt_stodft/sto_tool.cpp | 6 +- .../module_hamilt_pw/hamilt_stodft/sto_tool.h | 2 +- .../module_hamilt_pw/hamilt_stodft/sto_wf.cpp | 4 +- source/module_io/berryphase.cpp | 2 +- source/module_io/bessel_basis.cpp | 8 +-- source/module_io/bessel_basis.h | 6 +- source/module_io/cal_dos.cpp | 8 +-- source/module_io/cal_dos.h | 2 +- source/module_io/cal_mlkedf_descriptors.h | 2 +- source/module_io/cal_pLpR.cpp | 6 +- source/module_io/cal_pdos_gamma.cpp | 10 +-- source/module_io/cal_pdos_gamma.h | 2 +- source/module_io/cal_pdos_multik.cpp | 10 +-- source/module_io/cal_pdos_multik.h | 2 +- source/module_io/cal_r_overlap_R.cpp | 4 +- source/module_io/cal_r_overlap_R.h | 8 +-- source/module_io/cal_test.cpp | 6 +- source/module_io/cif_io.cpp | 6 +- source/module_io/csr_reader.cpp | 2 +- source/module_io/fR_overlap.cpp | 8 +-- source/module_io/fR_overlap.h | 2 +- source/module_io/file_reader.cpp | 2 +- source/module_io/filename.cpp | 2 +- source/module_io/get_pchg_lcao.cpp | 10 +-- source/module_io/get_pchg_lcao.h | 4 +- source/module_io/get_pchg_pw.h | 4 +- source/module_io/get_wf_lcao.cpp | 8 +-- source/module_io/get_wf_pw.h | 4 +- source/module_io/input_conv.cpp | 8 +-- source/module_io/input_conv.h | 4 +- source/module_io/io_dmk.cpp | 6 +- source/module_io/io_dmk.h | 2 +- source/module_io/io_npz.cpp | 2 +- source/module_io/json_output/general_info.cpp | 2 +- source/module_io/json_output/output_info.h | 2 +- source/module_io/nscf_band.cpp | 10 +-- source/module_io/nscf_band.h | 2 +- source/module_io/nscf_fermi_surf.cpp | 6 +- source/module_io/nscf_fermi_surf.h | 2 +- source/module_io/numerical_basis.cpp | 14 ++--- source/module_io/numerical_basis.h | 14 ++--- source/module_io/numerical_basis_jyjy.cpp | 4 +- source/module_io/numerical_basis_jyjy.h | 6 +- source/module_io/numerical_descriptor.cpp | 8 +-- source/module_io/numerical_descriptor.h | 8 +-- source/module_io/orb_io.cpp | 4 +- source/module_io/output.h | 8 +-- source/module_io/output_log.cpp | 8 +-- source/module_io/output_log.h | 4 +- source/module_io/output_mulliken.cpp | 8 +-- source/module_io/output_mulliken.h | 6 +- source/module_io/output_sk.cpp | 2 +- source/module_io/para_json.cpp | 2 +- source/module_io/print_info.cpp | 2 +- source/module_io/print_info.h | 2 +- source/module_io/read_input.cpp | 12 ++-- source/module_io/read_input_item_deepks.cpp | 4 +- .../module_io/read_input_item_elec_stru.cpp | 4 +- source/module_io/read_input_item_exx_dftu.cpp | 4 +- source/module_io/read_input_item_md.cpp | 2 +- source/module_io/read_input_item_model.cpp | 4 +- source/module_io/read_input_item_ofdft.cpp | 4 +- source/module_io/read_input_item_other.cpp | 4 +- source/module_io/read_input_item_output.cpp | 4 +- .../module_io/read_input_item_postprocess.cpp | 4 +- source/module_io/read_input_item_relax.cpp | 4 +- source/module_io/read_input_item_sdft.cpp | 4 +- source/module_io/read_input_item_system.cpp | 6 +- source/module_io/read_input_item_tddft.cpp | 4 +- source/module_io/read_input_tool.h | 2 +- source/module_io/read_set_globalv.cpp | 4 +- source/module_io/read_wf2rho_pw.cpp | 2 +- source/module_io/read_wfc_lcao.cpp | 6 +- source/module_io/read_wfc_lcao.h | 6 +- source/module_io/read_wfc_nao.cpp | 6 +- source/module_io/read_wfc_pw.cpp | 12 ++-- source/module_io/restart.cpp | 2 +- source/module_io/restart.h | 4 +- source/module_io/restart_exx_csr.h | 2 +- source/module_io/rhog_io.cpp | 10 +-- source/module_io/single_R_io.cpp | 6 +- source/module_io/sparse_matrix.cpp | 2 +- source/module_io/td_current_io.cpp | 14 ++--- source/module_io/test/CMakeLists.txt | 10 +-- source/module_io/test/cal_dos_test.cpp | 2 +- source/module_io/test/cal_pLpR_test.cpp | 4 +- source/module_io/test/cif_io_test.cpp | 2 +- source/module_io/test/dos_test.h | 2 +- source/module_io/test/for_testing_klist.h | 2 +- source/module_io/test/io_dmk_test.cpp | 4 +- .../module_io/test/numerical_basis_test.cpp | 6 +- source/module_io/test/orb_io_test.cpp | 4 +- source/module_io/test/outputlog_test.cpp | 4 +- source/module_io/test/prepare_unitcell.h | 2 +- source/module_io/test/read_input_ptest.cpp | 4 +- source/module_io/test/read_wf2rho_pw_test.cpp | 2 +- source/module_io/test/read_wfc_pw_test.cpp | 2 +- source/module_io/test/single_R_io_test.cpp | 2 +- .../module_io/test/write_istate_info_test.cpp | 4 +- source/module_io/test/write_wfc_nao_test.cpp | 4 +- source/module_io/test_serial/CMakeLists.txt | 4 +- .../test_serial/io_system_variable_test.cpp | 2 +- .../module_io/test_serial/prepare_unitcell.h | 2 +- .../test_serial/read_input_item_test.cpp | 2 +- .../module_io/test_serial/read_input_test.cpp | 2 +- source/module_io/test_serial/rho_io_test.cpp | 2 +- source/module_io/to_qo.h | 4 +- source/module_io/to_qo_kernel.cpp | 6 +- source/module_io/to_qo_mpi.cpp | 2 +- source/module_io/to_qo_structures.cpp | 2 +- source/module_io/to_wannier90.cpp | 8 +-- source/module_io/to_wannier90.h | 16 ++--- source/module_io/to_wannier90_lcao.cpp | 12 ++-- source/module_io/to_wannier90_lcao.h | 28 ++++----- source/module_io/to_wannier90_lcao_in_pw.cpp | 10 +-- source/module_io/to_wannier90_lcao_in_pw.h | 22 +++---- source/module_io/to_wannier90_pw.cpp | 10 +-- source/module_io/to_wannier90_pw.h | 12 ++-- source/module_io/unk_overlap_lcao.cpp | 2 +- source/module_io/unk_overlap_lcao.h | 6 +- source/module_io/unk_overlap_pw.h | 10 +-- source/module_io/winput.cpp | 2 +- source/module_io/write_HS.h | 4 +- source/module_io/write_HS.hpp | 4 +- source/module_io/write_HS_R.cpp | 2 +- source/module_io/write_HS_R.h | 2 +- source/module_io/write_HS_sparse.cpp | 4 +- source/module_io/write_HS_sparse.h | 4 +- source/module_io/write_cube.cpp | 4 +- source/module_io/write_dipole.cpp | 2 +- source/module_io/write_dos_lcao.h | 2 +- source/module_io/write_dos_pw.cpp | 2 +- source/module_io/write_dos_pw.h | 2 +- source/module_io/write_elecstat_pot.cpp | 4 +- source/module_io/write_istate_info.cpp | 8 +-- source/module_io/write_istate_info.h | 2 +- source/module_io/write_libxc_r.cpp | 6 +- source/module_io/write_orb_info.cpp | 2 +- source/module_io/write_pao.cpp | 2 +- source/module_io/write_proj_band_lcao.cpp | 8 +-- source/module_io/write_vxc.hpp | 6 +- source/module_io/write_vxc_lip.hpp | 4 +- source/module_io/write_vxc_r.hpp | 2 +- source/module_io/write_wfc_nao.cpp | 14 ++--- source/module_io/write_wfc_nao.h | 4 +- source/module_io/write_wfc_pw.cpp | 6 +- source/module_io/write_wfc_r.cpp | 4 +- source/module_io/write_wfc_r.h | 4 +- .../module_lr/ao_to_mo_transformer/ao_to_mo.h | 2 +- .../ao_to_mo_parallel.cpp | 4 +- .../ao_to_mo_transformer/ao_to_mo_serial.cpp | 4 +- source/module_lr/dm_trans/dm_trans.h | 2 +- .../module_lr/dm_trans/dm_trans_parallel.cpp | 4 +- source/module_lr/dm_trans/dm_trans_serial.cpp | 6 +- source/module_lr/dm_trans/dmr_complex.cpp | 4 +- source/module_lr/dm_trans/test/CMakeLists.txt | 16 ++--- source/module_lr/esolver_lrtd_lcao.cpp | 2 +- source/module_lr/hsolver_lrtd.hpp | 2 +- source/module_lr/lr_spectrum.cpp | 2 +- .../operator_casida/operator_lr_diag.h | 4 +- .../operator_casida/operator_lr_hxc.cpp | 4 +- source/module_lr/potentials/pot_hxc_lrtd.cpp | 2 +- source/module_lr/potentials/xc_kernel.cpp | 2 +- .../module_lr/ri_benchmark/ri_benchmark.hpp | 2 +- source/module_lr/utils/lr_util.cpp | 6 +- source/module_lr/utils/lr_util.h | 6 +- source/module_lr/utils/lr_util.hpp | 2 +- source/module_lr/utils/lr_util_hcontainer.h | 2 +- source/module_md/fire.cpp | 2 +- source/module_md/langevin.cpp | 4 +- source/module_md/md_func.cpp | 4 +- source/module_md/msst.cpp | 2 +- source/module_md/nhchain.cpp | 2 +- source/module_md/run_md.cpp | 4 +- source/module_md/test/CMakeLists.txt | 48 +++++++-------- source/module_md/verlet.cpp | 2 +- source/module_parameter/input_parameter.h | 2 +- source/module_psi/psi.cpp | 6 +- source/module_psi/psi.h | 4 +- source/module_psi/psi_init.cpp | 10 +-- source/module_psi/psi_initializer.cpp | 10 +-- source/module_psi/psi_initializer.h | 6 +- source/module_psi/psi_initializer_atomic.cpp | 14 ++--- source/module_psi/psi_initializer_atomic.h | 2 +- source/module_psi/psi_initializer_file.cpp | 2 +- source/module_psi/psi_initializer_nao.cpp | 16 ++--- source/module_psi/psi_initializer_nao.h | 4 +- source/module_psi/psi_initializer_random.cpp | 4 +- source/module_rdmft/rdmft.cpp | 4 +- source/module_rdmft/rdmft.h | 4 +- source/module_rdmft/rdmft_tools.cpp | 4 +- source/module_rdmft/rdmft_tools.h | 10 +-- source/module_relax/bfgs.cpp | 2 +- source/module_relax/bfgs.h | 6 +- source/module_relax/bfgs_basic.cpp | 4 +- source/module_relax/bfgs_basic.h | 2 +- source/module_relax/ions_move_basic.cpp | 4 +- source/module_relax/ions_move_basic.h | 2 +- source/module_relax/ions_move_bfgs.cpp | 4 +- source/module_relax/ions_move_bfgs.h | 2 +- source/module_relax/ions_move_cg.cpp | 4 +- source/module_relax/ions_move_cg.h | 2 +- source/module_relax/ions_move_methods.cpp | 4 +- source/module_relax/ions_move_sd.cpp | 4 +- source/module_relax/ions_move_sd.h | 2 +- source/module_relax/lattice_change_basic.cpp | 6 +- source/module_relax/lattice_change_basic.h | 2 +- source/module_relax/lattice_change_cg.cpp | 4 +- source/module_relax/lattice_change_cg.h | 2 +- .../module_relax/lattice_change_methods.cpp | 2 +- source/module_relax/lbfgs.cpp | 2 +- source/module_relax/lbfgs.h | 6 +- source/module_relax/relax_driver.cpp | 2 +- source/module_relax/relax_nsync.cpp | 4 +- source/module_relax/relax_sync.cpp | 6 +- source/module_relax/relax_sync.h | 4 +- source/module_relax/test/CMakeLists.txt | 12 ++-- source/module_relax/test/bfgs_test.cpp | 2 +- source/module_ri/ABFs_Construct-PCA.cpp | 8 +-- source/module_ri/Exx_LRI.h | 2 +- source/module_ri/Exx_LRI.hpp | 4 +- source/module_ri/Exx_LRI_interface.hpp | 4 +- source/module_ri/Inverse_Matrix.hpp | 2 +- source/module_ri/LRI_CV.h | 4 +- source/module_ri/LRI_CV.hpp | 4 +- source/module_ri/LRI_CV_Tools.h | 2 +- source/module_ri/LRI_CV_Tools.hpp | 2 +- source/module_ri/Matrix_Orbs11.cpp | 4 +- source/module_ri/Matrix_Orbs11.h | 6 +- source/module_ri/Matrix_Orbs21.cpp | 4 +- source/module_ri/Matrix_Orbs21.h | 4 +- source/module_ri/Matrix_Orbs22.cpp | 4 +- source/module_ri/Matrix_Orbs22.h | 4 +- source/module_ri/Mix_DMk_2D.cpp | 2 +- source/module_ri/Mix_DMk_2D.h | 6 +- source/module_ri/Mix_Matrix.cpp | 6 +- source/module_ri/Mix_Matrix.h | 4 +- source/module_ri/RI_2D_Comm.hpp | 4 +- source/module_ri/RI_Util.hpp | 2 +- source/module_ri/RPA_LRI.h | 2 +- source/module_ri/abfs.h | 4 +- source/module_ri/conv_coulomb_pot_k.cpp | 2 +- source/module_ri/exx_abfs-abfs_index.h | 2 +- source/module_ri/exx_abfs-construct_orbs.cpp | 4 +- source/module_ri/exx_abfs-io.cpp | 4 +- source/module_ri/exx_abfs-io.h | 4 +- source/module_ri/exx_abfs-jle.cpp | 6 +- source/module_ri/exx_abfs.h | 6 +- source/module_ri/exx_lip.h | 4 +- source/module_ri/exx_lip.hpp | 14 ++--- source/module_ri/exx_opt_orb.h | 4 +- .../module_exx_symmetry/irreducible_sector.h | 4 +- .../module_exx_symmetry/symmetry_rotation.cpp | 12 ++-- .../symmetry_rotation_R.hpp | 4 +- .../symmetry_rotation_R_hcontainer.hpp | 4 +- source/module_ri/serialization_boost.h | 8 +-- source/module_ri/serialization_cereal.h | 6 +- source/module_ri/test/dm_mixing_test.cpp | 2 +- .../element_basis_index-unittest.cpp | 2 +- source/module_ri/test_code/scalapack-test.cpp | 4 +- .../CMakeLists.txt | 0 .../abfs-vector3_order.cpp | 0 .../abfs-vector3_order.h | 0 .../{module_base => source_base}/array_pool.h | 0 .../assoc_laguerre.cpp | 4 +- .../assoc_laguerre.h | 0 source/{module_base => source_base}/atom_in.h | 0 .../blacs_connector.h | 0 .../blas_connector.h | 2 +- .../blas_connector_base.cpp | 4 +- .../blas_connector_matrix.cpp | 8 +-- .../blas_connector_vector.cpp | 8 +-- .../clebsch_gordan_coeff.cpp | 6 +- .../clebsch_gordan_coeff.h | 8 +-- .../complexarray.cpp | 0 .../complexarray.h | 0 .../complexmatrix.cpp | 0 .../complexmatrix.h | 0 .../{module_base => source_base}/constants.h | 0 .../container_operator.h | 0 .../cubic_spline.cpp | 0 .../cubic_spline.h | 0 .../element_basis_index.cpp | 0 .../element_basis_index.h | 0 .../element_covalent_radius.h | 0 .../element_elec_config.h | 0 .../element_name.h | 0 .../{module_base => source_base}/export.cpp | 0 source/{module_base => source_base}/export.h | 0 .../{module_base => source_base}/formatter.h | 2 +- .../gather_math_lib_info.cpp | 4 +- .../global_file.cpp | 4 +- .../global_file.h | 0 .../global_function-func_each_2.h | 0 .../global_function.cpp | 2 +- .../global_function.h | 0 .../global_function_ddotreal.cpp | 2 +- .../global_variable.cpp | 0 .../global_variable.h | 0 .../gram_schmidt_orth-inl.h | 0 .../gram_schmidt_orth.h | 0 .../grid/batch.cpp | 6 +- .../{module_base => source_base}/grid/batch.h | 0 .../grid/delley.cpp | 2 +- .../grid/delley.h | 0 .../grid/partition.cpp | 4 +- .../grid/partition.h | 0 .../grid/radial.cpp | 2 +- .../grid/radial.h | 0 .../grid/test/CMakeLists.txt | 0 .../grid/test/test_batch.cpp | 2 +- .../grid/test/test_delley.cpp | 4 +- .../grid/test/test_partition.cpp | 8 +-- .../grid/test/test_radial.cpp | 2 +- .../{module_base => source_base}/intarray.cpp | 0 .../{module_base => source_base}/intarray.h | 0 .../inverse_matrix.cpp | 0 .../inverse_matrix.h | 0 .../kernels/cuda/math_kernel_op.cu | 6 +- .../kernels/cuda/math_kernel_op_vec.cu | 2 +- .../kernels/cuda/math_ylm_op.cu | 2 +- .../kernels/dsp/dsp_connector.cpp | 0 .../kernels/dsp/dsp_connector.h | 4 +- .../kernels/math_kernel_op.cpp | 2 +- .../kernels/math_kernel_op.h | 10 +-- .../kernels/math_kernel_op_vec.cpp | 2 +- .../kernels/math_ylm_op.cpp | 4 +- .../kernels/math_ylm_op.h | 0 .../kernels/rocm/math_kernel_op.hip.cu | 6 +- .../kernels/rocm/math_kernel_op_vec.hip.cu | 2 +- .../kernels/rocm/math_ylm_op.hip.cu | 2 +- .../kernels/test/CMakeLists.txt | 0 .../kernels/test/math_kernel_test.cpp | 8 +-- .../kernels/test/math_ylm_op_test.cpp | 4 +- .../lapack_connector.h | 0 .../lapack_wrapper.h | 0 .../{module_base => source_base}/libm/LICENCE | 0 .../libm/README.md | 0 .../libm/branred.cpp | 0 .../libm/cexp.cpp | 0 .../{module_base => source_base}/libm/exp.cpp | 0 .../{module_base => source_base}/libm/libm.h | 0 .../libm/sincos.cpp | 0 .../libm/test/CMakeLists.txt | 0 .../libm/test/libm_test.cpp | 0 source/{module_base => source_base}/macros.h | 0 source/{module_base => source_base}/main.cpp | 0 .../math_bspline.cpp | 0 .../math_bspline.h | 0 .../math_chebyshev.cpp | 2 +- .../math_chebyshev.h | 6 +- .../math_erf_complex.cpp | 0 .../math_erf_complex.h | 0 .../math_integral.cpp | 0 .../math_integral.h | 0 .../math_lebedev_laikov.cpp | 0 .../math_lebedev_laikov.h | 0 .../math_polyint.cpp | 0 .../math_polyint.h | 0 .../math_sphbes.cpp | 0 .../math_sphbes.h | 0 .../math_ylmreal.cpp | 8 +-- .../math_ylmreal.h | 0 .../{module_base => source_base}/mathzone.h | 0 .../mathzone_add1.cpp | 0 .../mathzone_add1.h | 0 .../{module_base => source_base}/matrix-inl.h | 0 .../{module_base => source_base}/matrix.cpp | 0 source/{module_base => source_base}/matrix.h | 0 .../{module_base => source_base}/matrix3.cpp | 0 source/{module_base => source_base}/matrix3.h | 0 .../matrix_wrapper.h | 0 .../matrix_wrapper_tianhe2.h | 0 source/{module_base => source_base}/mcd.c | 0 source/{module_base => source_base}/mcd.h | 0 .../{module_base => source_base}/memory.cpp | 2 +- source/{module_base => source_base}/memory.h | 0 .../module_container/ATen/core/CMakeLists.txt | 0 .../module_container/ATen/core/tensor.cpp | 0 .../module_container/ATen/core/tensor.h | 0 .../ATen/core/tensor_accessor.h | 0 .../ATen/core/tensor_buffer.cpp | 0 .../ATen/core/tensor_buffer.h | 0 .../module_container/ATen/core/tensor_map.cpp | 0 .../module_container/ATen/core/tensor_map.h | 0 .../ATen/core/tensor_shape.cpp | 0 .../module_container/ATen/core/tensor_shape.h | 0 .../ATen/core/tensor_types.cpp | 0 .../module_container/ATen/core/tensor_types.h | 2 +- .../module_container/ATen/core/tensor_utils.h | 0 .../ATen/kernels/CMakeLists.txt | 0 .../module_container/ATen/kernels/blas.cpp | 0 .../module_container/ATen/kernels/blas.h | 0 .../ATen/kernels/cuda/blas.cu | 0 .../ATen/kernels/cuda/lapack.cu | 0 .../ATen/kernels/cuda/linalg.cu | 0 .../ATen/kernels/cuda/memory.cu | 0 .../module_container/ATen/kernels/lapack.cpp | 0 .../module_container/ATen/kernels/lapack.h | 0 .../module_container/ATen/kernels/linalg.cpp | 0 .../module_container/ATen/kernels/linalg.h | 0 .../module_container/ATen/kernels/memory.h | 0 .../ATen/kernels/memory_impl.cpp | 0 .../ATen/kernels/rocm/blas.hip.cu | 0 .../ATen/kernels/rocm/lapack.hip.cu | 0 .../ATen/kernels/rocm/linalg.hip.cu | 0 .../ATen/kernels/rocm/memory.hip.cu | 0 .../ATen/kernels/test/CMakeLists.txt | 0 .../ATen/kernels/test/blas_test.cpp | 0 .../ATen/kernels/test/lapack_test.cpp | 0 .../ATen/kernels/test/linalg_test.cpp | 0 .../ATen/kernels/test/memory_test.cpp | 0 .../module_container/ATen/ops/CMakeLists.txt | 0 .../module_container/ATen/ops/einsum_op.cpp | 0 .../module_container/ATen/ops/einsum_op.h | 0 .../module_container/ATen/ops/linalg_op.cpp | 0 .../module_container/ATen/ops/linalg_op.h | 0 .../ATen/ops/test/CMakeLists.txt | 0 .../ATen/ops/test/einsum_op_test.cpp | 0 .../ATen/ops/test/linalg_op_test.cpp | 0 .../module_container/ATen/tensor.h | 0 .../module_container/CMakeLists.txt | 0 .../module_container/base/core/CMakeLists.txt | 0 .../module_container/base/core/allocator.h | 0 .../base/core/bfc_allocator.h | 0 .../base/core/cpu_allocator.cpp | 0 .../base/core/cpu_allocator.h | 0 .../base/core/gpu_allocator.cpp | 0 .../base/core/gpu_allocator.h | 0 .../module_container/base/core/refcount.cpp | 0 .../module_container/base/core/refcount.h | 0 .../module_container/base/macros/cuda.h | 0 .../module_container/base/macros/macros.h | 0 .../module_container/base/macros/rocm.h | 0 .../module_container/base/third_party/blas.h | 0 .../base/third_party/cublas.h | 0 .../base/third_party/cusolver.h | 0 .../base/third_party/hipblas.h | 0 .../base/third_party/hipsolver.h | 0 .../base/third_party/lapack.h | 0 .../module_container/base/utils/array_ref.h | 0 .../module_container/base/utils/gtest.h | 0 .../module_container/base/utils/logging.h | 0 .../module_container/test/CMakeLists.txt | 0 .../module_container/test/allocator_test.cpp | 0 .../test/tensor_accessor_test.cpp | 0 .../test/tensor_buffer_test.cpp | 0 .../module_container/test/tensor_map_test.cpp | 0 .../test/tensor_shape_test.cpp | 0 .../module_container/test/tensor_test.cpp | 0 .../test/tensor_utils_test.cpp | 0 .../module_device/CMakeLists.txt | 0 .../module_device/cuda/memory_op.cu | 4 +- .../module_device/device.cpp | 2 +- .../module_device/device.h | 0 .../module_device/memory_op.cpp | 8 +-- .../module_device/memory_op.h | 0 .../module_device/rocm/memory_op.hip.cu | 2 +- .../module_device/test/CMakeLists.txt | 0 .../module_device/test/device_test.cpp | 2 +- .../module_device/test/memory_test.cpp | 2 +- .../module_device/types.h | 0 .../module_mixing/broyden_mixing.cpp | 10 +-- .../module_mixing/broyden_mixing.h | 2 +- .../module_mixing/mixing.cpp | 2 +- .../module_mixing/mixing.h | 0 .../module_mixing/mixing_data.cpp | 0 .../module_mixing/mixing_data.h | 2 +- .../module_mixing/plain_mixing.cpp | 6 +- .../module_mixing/plain_mixing.h | 0 .../module_mixing/pulay_mixing.cpp | 8 +-- .../module_mixing/pulay_mixing.h | 2 +- .../module_mixing/test/CMakeLists.txt | 0 .../module_mixing/test/mixing_test.cpp | 0 .../{module_base => source_base}/mymath.cpp | 0 source/{module_base => source_base}/mymath.h | 0 .../name_angular.h | 0 source/{module_base => source_base}/ndarray.h | 4 +- .../{module_base => source_base}/opt_CG.cpp | 0 source/{module_base => source_base}/opt_CG.h | 2 +- .../opt_DCsrch.cpp | 0 .../{module_base => source_base}/opt_DCsrch.h | 0 .../{module_base => source_base}/opt_TN.hpp | 0 .../para_gemm.cpp | 2 +- .../{module_base => source_base}/para_gemm.h | 4 +- .../parallel_2d.cpp | 2 +- .../parallel_2d.h | 2 +- .../parallel_comm.cpp | 0 .../parallel_comm.h | 0 .../parallel_common.cpp | 0 .../parallel_common.h | 0 .../parallel_device.cpp | 0 .../parallel_device.h | 4 +- .../parallel_global.cpp | 10 +-- .../parallel_global.h | 0 .../parallel_reduce.cpp | 0 .../parallel_reduce.h | 0 .../{module_base => source_base}/projgen.cpp | 6 +- source/{module_base => source_base}/projgen.h | 0 source/{module_base => source_base}/random.h | 0 .../realarray.cpp | 0 .../{module_base => source_base}/realarray.h | 0 .../scalapack_connector.h | 0 .../sph_bessel_recursive-d1.cpp | 0 .../sph_bessel_recursive-d2.cpp | 0 .../sph_bessel_recursive.h | 0 .../spherical_bessel_transformer.cpp | 6 +- .../spherical_bessel_transformer.h | 0 .../test/CMakeLists.txt | 0 .../test/abfs-vector3_order_test.cpp | 4 +- .../test/assoc_laguerre_test.cpp | 2 +- .../test/atom_in_test.cpp | 0 .../test/blas_connector_test.cpp | 0 .../test/clebsch_gordan_coeff_test.cpp | 0 .../test/complexarray_test.cpp | 0 .../test/complexmatrix_test.cpp | 0 .../test/container_operator_test.cpp | 0 .../test/cubic_spline_test.cpp | 2 +- .../test/data/bjo.bin | Bin .../test/data/bjxo.bin | Bin .../test/data/cos_periodic.dat | 0 .../test/data/exp_first_deriv.dat | 0 .../test/data/gen_ref.py | 0 .../test/data/log_second_deriv.dat | 0 .../test/data/sin_not_a_knot.dat | 0 .../test/data/sqrt_mix_bc.dat | 0 .../test/data/three_points_not_a_knot.dat | 0 .../test/data/two_points_first_deriv.dat | 0 .../test/data/two_points_periodic.dat | 0 .../test/data/two_points_second_deriv.dat | 0 .../test/element_basis_index_test.cpp | 0 .../test/formatter_test.cpp | 2 +- .../test/global_file_test.cpp | 2 +- .../test/global_function_test.cpp | 0 .../test/gram_schmidt_orth_test.cpp | 0 .../test/intarray_test.cpp | 0 .../test/inverse_matrix_test.cpp | 0 .../test/lapack_connector_test.cpp | 0 .../test/math_bspline_test.cpp | 0 .../test/math_chebyshev_test.cpp | 0 .../test/math_integral_test.cpp | 2 +- .../test/math_polyint_test.cpp | 0 .../test/math_sphbes_test.cpp | 0 .../test/math_ylmreal_test.cpp | 2 +- .../test/mathzone_add1_test.cpp | 0 .../test/mathzone_test.cpp | 0 .../test/matrix3_test.cpp | 0 .../test/matrix_test.cpp | 0 .../test/memory_test.cpp | 0 .../test/mymath_test.cpp | 0 .../test/ndarray_test.cpp | 2 +- .../test/opt_CG_test.cpp | 0 .../test/opt_TN_test.cpp | 0 .../test/opt_test_tools.cpp | 0 .../test/opt_test_tools.h | 0 .../test/perf_sphbes_test.cpp | 0 .../test/realarray_test.cpp | 0 .../test/sph_bessel_recursive_test.cpp | 0 .../spherical_bessel_transformer_test.cpp | 4 +- .../test/test_lebedev_laikov.cpp | 4 +- .../test/timer_test.cpp | 0 .../test/tool_check_test.cpp | 0 .../test/tool_quit_no_exit.cpp | 0 .../test/tool_quit_test.cpp | 0 .../test/tool_threading_test.cpp | 0 .../test/tool_title_test.cpp | 0 .../test/vector3_test.cpp | 0 .../test/ylm_test.cpp | 0 .../test_parallel/CMakeLists.txt | 0 .../test_parallel/blacs_connector_test.cpp | 0 .../test_parallel/blacs_connector_test.sh | 0 .../test_parallel/math_chebyshev_mpi_test.cpp | 2 +- .../test_parallel/parallel_2d_test.cpp | 0 .../test_parallel/parallel_2d_test.sh | 0 .../test_parallel/parallel_common_test.cpp | 4 +- .../test_parallel/parallel_common_test.sh | 0 .../test_parallel/parallel_global_test.cpp | 2 +- .../test_parallel/parallel_global_test.sh | 0 .../test_parallel/parallel_reduce_test.cpp | 6 +- .../test_parallel/parallel_reduce_test.sh | 0 .../test_parallel/test_para_gemm.cpp | 0 source/{module_base => source_base}/timer.cpp | 2 +- source/{module_base => source_base}/timer.h | 0 .../tool_check.cpp | 0 .../{module_base => source_base}/tool_check.h | 0 .../tool_quit.cpp | 0 .../{module_base => source_base}/tool_quit.h | 0 .../tool_threading.h | 0 .../tool_title.cpp | 0 .../{module_base => source_base}/tool_title.h | 0 source/{module_base => source_base}/vector3.h | 0 source/{module_base => source_base}/ylm.cpp | 0 source/{module_base => source_base}/ylm.h | 0 source/source_esolver/esolver.cpp | 4 +- source/source_esolver/esolver.h | 2 +- source/source_esolver/esolver_dm2rho.cpp | 2 +- source/source_esolver/esolver_dp.cpp | 4 +- source/source_esolver/esolver_fp.cpp | 2 +- source/source_esolver/esolver_gets.cpp | 2 +- source/source_esolver/esolver_ks.cpp | 4 +- source/source_esolver/esolver_ks_lcao.cpp | 8 +-- .../source_esolver/esolver_ks_lcao_tddft.cpp | 8 +-- source/source_esolver/esolver_ks_lcao_tddft.h | 2 +- source/source_esolver/esolver_ks_lcaopw.cpp | 4 +- source/source_esolver/esolver_ks_pw.cpp | 10 +-- source/source_esolver/esolver_ks_pw.h | 2 +- source/source_esolver/esolver_of.cpp | 2 +- source/source_esolver/esolver_of.h | 4 +- source/source_esolver/esolver_of_tool.cpp | 4 +- source/source_esolver/esolver_sdft_pw.cpp | 4 +- source/source_esolver/lcao_before_scf.cpp | 4 +- source/source_esolver/lcao_others.cpp | 4 +- source/source_esolver/pw_others.cpp | 10 +-- source/source_esolver/pw_setup.cpp | 2 +- source/source_hsolver/diag_const_nums.h | 2 +- source/source_hsolver/diag_hs_para.cpp | 4 +- source/source_hsolver/diag_hs_para.h | 4 +- source/source_hsolver/diago_bpcg.cpp | 8 +-- source/source_hsolver/diago_bpcg.h | 12 ++-- source/source_hsolver/diago_cg.cpp | 12 ++-- source/source_hsolver/diago_cg.h | 4 +- source/source_hsolver/diago_cusolver.cpp | 8 +-- source/source_hsolver/diago_cusolver.h | 2 +- source/source_hsolver/diago_cusolvermp.cpp | 2 +- source/source_hsolver/diago_cusolvermp.h | 2 +- source/source_hsolver/diago_dav_subspace.cpp | 10 +-- source/source_hsolver/diago_dav_subspace.h | 6 +- source/source_hsolver/diago_david.cpp | 8 +-- source/source_hsolver/diago_david.h | 6 +- source/source_hsolver/diago_elpa.cpp | 12 ++-- source/source_hsolver/diago_elpa.h | 2 +- source/source_hsolver/diago_elpa_native.cpp | 12 ++-- source/source_hsolver/diago_elpa_native.h | 2 +- source/source_hsolver/diago_iter_assist.cpp | 18 +++--- source/source_hsolver/diago_iter_assist.h | 4 +- source/source_hsolver/diago_lapack.cpp | 8 +-- source/source_hsolver/diago_lapack.h | 4 +- source/source_hsolver/diago_pexsi.cpp | 4 +- source/source_hsolver/diago_pexsi.h | 4 +- source/source_hsolver/diago_pxxxgvx.cpp | 4 +- source/source_hsolver/diago_pxxxgvx.h | 2 +- source/source_hsolver/diago_scalapack.cpp | 6 +- source/source_hsolver/diago_scalapack.h | 6 +- .../genelpa/elpa_new_complex.cpp | 4 +- .../source_hsolver/genelpa/elpa_new_real.cpp | 4 +- source/source_hsolver/genelpa/utils.cpp | 4 +- source/source_hsolver/hsolver_lcao.cpp | 8 +-- source/source_hsolver/hsolver_lcaopw.cpp | 8 +-- source/source_hsolver/hsolver_lcaopw.h | 4 +- source/source_hsolver/hsolver_pw.cpp | 6 +- source/source_hsolver/hsolver_pw.h | 4 +- source/source_hsolver/hsolver_pw_sdft.cpp | 8 +-- .../source_hsolver/kernels/bpcg_kernel_op.cpp | 6 +- .../source_hsolver/kernels/bpcg_kernel_op.h | 4 +- .../kernels/cuda/bpcg_kernel_op.cu | 2 +- .../kernels/cuda/diag_cusolvermp.cu | 6 +- .../kernels/cuda/diag_cusolvermp.cuh | 2 +- source/source_hsolver/kernels/dngvd_op.h | 8 +-- .../kernels/rocm/bpcg_kernel_op.hip.cu | 2 +- .../kernels/test/math_dngvd_test.cpp | 8 +-- .../kernels/test/perf_math_kernel.cpp | 8 +-- .../module_pexsi/pexsi_solver.cpp | 4 +- .../module_pexsi/simple_pexsi.cpp | 8 +-- .../source_hsolver/para_linear_transform.cpp | 2 +- source/source_hsolver/para_linear_transform.h | 8 +-- source/source_hsolver/parallel_k2d.cpp | 8 +-- source/source_hsolver/parallel_k2d.h | 2 +- .../source_hsolver/test/diago_bpcg_test.cpp | 4 +- .../test/diago_cg_float_test.cpp | 4 +- .../test/diago_cg_real_test.cpp | 4 +- source/source_hsolver/test/diago_cg_test.cpp | 4 +- .../test/diago_david_float_test.cpp | 4 +- .../test/diago_david_real_test.cpp | 4 +- .../source_hsolver/test/diago_david_test.cpp | 4 +- source/source_hsolver/test/diago_elpa_utils.h | 6 +- .../source_hsolver/test/diago_lapack_test.cpp | 2 +- source/source_hsolver/test/diago_mock.h | 8 +-- .../source_hsolver/test/diago_pexsi_test.cpp | 4 +- .../source_hsolver/test/parallel_k2d_test.cpp | 2 +- source/source_hsolver/test/test_hsolver.cpp | 2 +- .../source_hsolver/test/test_hsolver_pw.cpp | 2 +- .../source_hsolver/test/test_hsolver_sdft.cpp | 4 +- source/source_main/driver.cpp | 6 +- source/source_main/main.cpp | 2 +- 1258 files changed, 2527 insertions(+), 2527 deletions(-) rename source/{module_base => source_base}/CMakeLists.txt (100%) rename source/{module_base => source_base}/abfs-vector3_order.cpp (100%) rename source/{module_base => source_base}/abfs-vector3_order.h (100%) rename source/{module_base => source_base}/array_pool.h (100%) rename source/{module_base => source_base}/assoc_laguerre.cpp (97%) rename source/{module_base => source_base}/assoc_laguerre.h (100%) rename source/{module_base => source_base}/atom_in.h (100%) rename source/{module_base => source_base}/blacs_connector.h (100%) rename source/{module_base => source_base}/blas_connector.h (99%) rename source/{module_base => source_base}/blas_connector_base.cpp (92%) rename source/{module_base => source_base}/blas_connector_matrix.cpp (99%) rename source/{module_base => source_base}/blas_connector_vector.cpp (99%) rename source/{module_base => source_base}/clebsch_gordan_coeff.cpp (96%) rename source/{module_base => source_base}/clebsch_gordan_coeff.h (93%) rename source/{module_base => source_base}/complexarray.cpp (100%) rename source/{module_base => source_base}/complexarray.h (100%) rename source/{module_base => source_base}/complexmatrix.cpp (100%) rename source/{module_base => source_base}/complexmatrix.h (100%) rename source/{module_base => source_base}/constants.h (100%) rename source/{module_base => source_base}/container_operator.h (100%) rename source/{module_base => source_base}/cubic_spline.cpp (100%) rename source/{module_base => source_base}/cubic_spline.h (100%) rename source/{module_base => source_base}/element_basis_index.cpp (100%) rename source/{module_base => source_base}/element_basis_index.h (100%) rename source/{module_base => source_base}/element_covalent_radius.h (100%) rename source/{module_base => source_base}/element_elec_config.h (100%) rename source/{module_base => source_base}/element_name.h (100%) rename source/{module_base => source_base}/export.cpp (100%) rename source/{module_base => source_base}/export.h (100%) rename source/{module_base => source_base}/formatter.h (99%) rename source/{module_base => source_base}/gather_math_lib_info.cpp (97%) rename source/{module_base => source_base}/global_file.cpp (99%) rename source/{module_base => source_base}/global_file.h (100%) rename source/{module_base => source_base}/global_function-func_each_2.h (100%) rename source/{module_base => source_base}/global_function.cpp (99%) rename source/{module_base => source_base}/global_function.h (100%) rename source/{module_base => source_base}/global_function_ddotreal.cpp (97%) rename source/{module_base => source_base}/global_variable.cpp (100%) rename source/{module_base => source_base}/global_variable.h (100%) rename source/{module_base => source_base}/gram_schmidt_orth-inl.h (100%) rename source/{module_base => source_base}/gram_schmidt_orth.h (100%) rename source/{module_base => source_base}/grid/batch.cpp (97%) rename source/{module_base => source_base}/grid/batch.h (100%) rename source/{module_base => source_base}/grid/delley.cpp (99%) rename source/{module_base => source_base}/grid/delley.h (100%) rename source/{module_base => source_base}/grid/partition.cpp (97%) rename source/{module_base => source_base}/grid/partition.h (100%) rename source/{module_base => source_base}/grid/radial.cpp (98%) rename source/{module_base => source_base}/grid/radial.h (100%) rename source/{module_base => source_base}/grid/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/grid/test/test_batch.cpp (99%) rename source/{module_base => source_base}/grid/test/test_delley.cpp (98%) rename source/{module_base => source_base}/grid/test/test_partition.cpp (98%) rename source/{module_base => source_base}/grid/test/test_radial.cpp (98%) rename source/{module_base => source_base}/intarray.cpp (100%) rename source/{module_base => source_base}/intarray.h (100%) rename source/{module_base => source_base}/inverse_matrix.cpp (100%) rename source/{module_base => source_base}/inverse_matrix.h (100%) rename source/{module_base => source_base}/kernels/cuda/math_kernel_op.cu (99%) rename source/{module_base => source_base}/kernels/cuda/math_kernel_op_vec.cu (99%) rename source/{module_base => source_base}/kernels/cuda/math_ylm_op.cu (99%) rename source/{module_base => source_base}/kernels/dsp/dsp_connector.cpp (100%) rename source/{module_base => source_base}/kernels/dsp/dsp_connector.h (98%) rename source/{module_base => source_base}/kernels/math_kernel_op.cpp (98%) rename source/{module_base => source_base}/kernels/math_kernel_op.h (98%) rename source/{module_base => source_base}/kernels/math_kernel_op_vec.cpp (99%) rename source/{module_base => source_base}/kernels/math_ylm_op.cpp (98%) rename source/{module_base => source_base}/kernels/math_ylm_op.h (100%) rename source/{module_base => source_base}/kernels/rocm/math_kernel_op.hip.cu (99%) rename source/{module_base => source_base}/kernels/rocm/math_kernel_op_vec.hip.cu (99%) rename source/{module_base => source_base}/kernels/rocm/math_ylm_op.hip.cu (99%) rename source/{module_base => source_base}/kernels/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/kernels/test/math_kernel_test.cpp (99%) rename source/{module_base => source_base}/kernels/test/math_ylm_op_test.cpp (99%) rename source/{module_base => source_base}/lapack_connector.h (100%) rename source/{module_base => source_base}/lapack_wrapper.h (100%) rename source/{module_base => source_base}/libm/LICENCE (100%) rename source/{module_base => source_base}/libm/README.md (100%) rename source/{module_base => source_base}/libm/branred.cpp (100%) rename source/{module_base => source_base}/libm/cexp.cpp (100%) rename source/{module_base => source_base}/libm/exp.cpp (100%) rename source/{module_base => source_base}/libm/libm.h (100%) rename source/{module_base => source_base}/libm/sincos.cpp (100%) rename source/{module_base => source_base}/libm/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/libm/test/libm_test.cpp (100%) rename source/{module_base => source_base}/macros.h (100%) rename source/{module_base => source_base}/main.cpp (100%) rename source/{module_base => source_base}/math_bspline.cpp (100%) rename source/{module_base => source_base}/math_bspline.h (100%) rename source/{module_base => source_base}/math_chebyshev.cpp (99%) rename source/{module_base => source_base}/math_chebyshev.h (98%) rename source/{module_base => source_base}/math_erf_complex.cpp (100%) rename source/{module_base => source_base}/math_erf_complex.h (100%) rename source/{module_base => source_base}/math_integral.cpp (100%) rename source/{module_base => source_base}/math_integral.h (100%) rename source/{module_base => source_base}/math_lebedev_laikov.cpp (100%) rename source/{module_base => source_base}/math_lebedev_laikov.h (100%) rename source/{module_base => source_base}/math_polyint.cpp (100%) rename source/{module_base => source_base}/math_polyint.h (100%) rename source/{module_base => source_base}/math_sphbes.cpp (100%) rename source/{module_base => source_base}/math_sphbes.h (100%) rename source/{module_base => source_base}/math_ylmreal.cpp (99%) rename source/{module_base => source_base}/math_ylmreal.h (100%) rename source/{module_base => source_base}/mathzone.h (100%) rename source/{module_base => source_base}/mathzone_add1.cpp (100%) rename source/{module_base => source_base}/mathzone_add1.h (100%) rename source/{module_base => source_base}/matrix-inl.h (100%) rename source/{module_base => source_base}/matrix.cpp (100%) rename source/{module_base => source_base}/matrix.h (100%) rename source/{module_base => source_base}/matrix3.cpp (100%) rename source/{module_base => source_base}/matrix3.h (100%) rename source/{module_base => source_base}/matrix_wrapper.h (100%) rename source/{module_base => source_base}/matrix_wrapper_tianhe2.h (100%) rename source/{module_base => source_base}/mcd.c (100%) rename source/{module_base => source_base}/mcd.h (100%) rename source/{module_base => source_base}/memory.cpp (99%) rename source/{module_base => source_base}/memory.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_accessor.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_buffer.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_buffer.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_map.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_map.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_shape.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_shape.h (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_types.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_types.h (99%) rename source/{module_base => source_base}/module_container/ATen/core/tensor_utils.h (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/blas.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/blas.h (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/cuda/blas.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/cuda/lapack.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/cuda/linalg.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/cuda/memory.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/lapack.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/lapack.h (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/linalg.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/linalg.h (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/memory.h (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/memory_impl.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/rocm/blas.hip.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/rocm/lapack.hip.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/rocm/linalg.hip.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/rocm/memory.hip.cu (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/test/blas_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/test/lapack_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/test/linalg_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/kernels/test/memory_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/ops/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/ATen/ops/einsum_op.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/ops/einsum_op.h (100%) rename source/{module_base => source_base}/module_container/ATen/ops/linalg_op.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/ops/linalg_op.h (100%) rename source/{module_base => source_base}/module_container/ATen/ops/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/ATen/ops/test/einsum_op_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/ops/test/linalg_op_test.cpp (100%) rename source/{module_base => source_base}/module_container/ATen/tensor.h (100%) rename source/{module_base => source_base}/module_container/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/base/core/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/base/core/allocator.h (100%) rename source/{module_base => source_base}/module_container/base/core/bfc_allocator.h (100%) rename source/{module_base => source_base}/module_container/base/core/cpu_allocator.cpp (100%) rename source/{module_base => source_base}/module_container/base/core/cpu_allocator.h (100%) rename source/{module_base => source_base}/module_container/base/core/gpu_allocator.cpp (100%) rename source/{module_base => source_base}/module_container/base/core/gpu_allocator.h (100%) rename source/{module_base => source_base}/module_container/base/core/refcount.cpp (100%) rename source/{module_base => source_base}/module_container/base/core/refcount.h (100%) rename source/{module_base => source_base}/module_container/base/macros/cuda.h (100%) rename source/{module_base => source_base}/module_container/base/macros/macros.h (100%) rename source/{module_base => source_base}/module_container/base/macros/rocm.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/blas.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/cublas.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/cusolver.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/hipblas.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/hipsolver.h (100%) rename source/{module_base => source_base}/module_container/base/third_party/lapack.h (100%) rename source/{module_base => source_base}/module_container/base/utils/array_ref.h (100%) rename source/{module_base => source_base}/module_container/base/utils/gtest.h (100%) rename source/{module_base => source_base}/module_container/base/utils/logging.h (100%) rename source/{module_base => source_base}/module_container/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_container/test/allocator_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_accessor_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_buffer_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_map_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_shape_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_test.cpp (100%) rename source/{module_base => source_base}/module_container/test/tensor_utils_test.cpp (100%) rename source/{module_base => source_base}/module_device/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_device/cuda/memory_op.cu (99%) rename source/{module_base => source_base}/module_device/device.cpp (99%) rename source/{module_base => source_base}/module_device/device.h (100%) rename source/{module_base => source_base}/module_device/memory_op.cpp (99%) rename source/{module_base => source_base}/module_device/memory_op.h (100%) rename source/{module_base => source_base}/module_device/rocm/memory_op.hip.cu (99%) rename source/{module_base => source_base}/module_device/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_device/test/device_test.cpp (94%) rename source/{module_base => source_base}/module_device/test/memory_test.cpp (99%) rename source/{module_base => source_base}/module_device/types.h (100%) rename source/{module_base => source_base}/module_mixing/broyden_mixing.cpp (96%) rename source/{module_base => source_base}/module_mixing/broyden_mixing.h (99%) rename source/{module_base => source_base}/module_mixing/mixing.cpp (98%) rename source/{module_base => source_base}/module_mixing/mixing.h (100%) rename source/{module_base => source_base}/module_mixing/mixing_data.cpp (100%) rename source/{module_base => source_base}/module_mixing/mixing_data.h (97%) rename source/{module_base => source_base}/module_mixing/plain_mixing.cpp (97%) rename source/{module_base => source_base}/module_mixing/plain_mixing.h (100%) rename source/{module_base => source_base}/module_mixing/pulay_mixing.cpp (97%) rename source/{module_base => source_base}/module_mixing/pulay_mixing.h (99%) rename source/{module_base => source_base}/module_mixing/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/module_mixing/test/mixing_test.cpp (100%) rename source/{module_base => source_base}/mymath.cpp (100%) rename source/{module_base => source_base}/mymath.h (100%) rename source/{module_base => source_base}/name_angular.h (100%) rename source/{module_base => source_base}/ndarray.h (98%) rename source/{module_base => source_base}/opt_CG.cpp (100%) rename source/{module_base => source_base}/opt_CG.h (98%) rename source/{module_base => source_base}/opt_DCsrch.cpp (100%) rename source/{module_base => source_base}/opt_DCsrch.h (100%) rename source/{module_base => source_base}/opt_TN.hpp (100%) rename source/{module_base => source_base}/para_gemm.cpp (99%) rename source/{module_base => source_base}/para_gemm.h (98%) rename source/{module_base => source_base}/parallel_2d.cpp (98%) rename source/{module_base => source_base}/parallel_2d.h (98%) rename source/{module_base => source_base}/parallel_comm.cpp (100%) rename source/{module_base => source_base}/parallel_comm.h (100%) rename source/{module_base => source_base}/parallel_common.cpp (100%) rename source/{module_base => source_base}/parallel_common.h (100%) rename source/{module_base => source_base}/parallel_device.cpp (100%) rename source/{module_base => source_base}/parallel_device.h (98%) rename source/{module_base => source_base}/parallel_global.cpp (98%) rename source/{module_base => source_base}/parallel_global.h (100%) rename source/{module_base => source_base}/parallel_reduce.cpp (100%) rename source/{module_base => source_base}/parallel_reduce.h (100%) rename source/{module_base => source_base}/projgen.cpp (98%) rename source/{module_base => source_base}/projgen.h (100%) rename source/{module_base => source_base}/random.h (100%) rename source/{module_base => source_base}/realarray.cpp (100%) rename source/{module_base => source_base}/realarray.h (100%) rename source/{module_base => source_base}/scalapack_connector.h (100%) rename source/{module_base => source_base}/sph_bessel_recursive-d1.cpp (100%) rename source/{module_base => source_base}/sph_bessel_recursive-d2.cpp (100%) rename source/{module_base => source_base}/sph_bessel_recursive.h (100%) rename source/{module_base => source_base}/spherical_bessel_transformer.cpp (99%) rename source/{module_base => source_base}/spherical_bessel_transformer.h (100%) rename source/{module_base => source_base}/test/CMakeLists.txt (100%) rename source/{module_base => source_base}/test/abfs-vector3_order_test.cpp (89%) rename source/{module_base => source_base}/test/assoc_laguerre_test.cpp (99%) rename source/{module_base => source_base}/test/atom_in_test.cpp (100%) rename source/{module_base => source_base}/test/blas_connector_test.cpp (100%) rename source/{module_base => source_base}/test/clebsch_gordan_coeff_test.cpp (100%) rename source/{module_base => source_base}/test/complexarray_test.cpp (100%) rename source/{module_base => source_base}/test/complexmatrix_test.cpp (100%) rename source/{module_base => source_base}/test/container_operator_test.cpp (100%) rename source/{module_base => source_base}/test/cubic_spline_test.cpp (99%) rename source/{module_base => source_base}/test/data/bjo.bin (100%) rename source/{module_base => source_base}/test/data/bjxo.bin (100%) rename source/{module_base => source_base}/test/data/cos_periodic.dat (100%) rename source/{module_base => source_base}/test/data/exp_first_deriv.dat (100%) rename source/{module_base => source_base}/test/data/gen_ref.py (100%) rename source/{module_base => source_base}/test/data/log_second_deriv.dat (100%) rename source/{module_base => source_base}/test/data/sin_not_a_knot.dat (100%) rename source/{module_base => source_base}/test/data/sqrt_mix_bc.dat (100%) rename source/{module_base => source_base}/test/data/three_points_not_a_knot.dat (100%) rename source/{module_base => source_base}/test/data/two_points_first_deriv.dat (100%) rename source/{module_base => source_base}/test/data/two_points_periodic.dat (100%) rename source/{module_base => source_base}/test/data/two_points_second_deriv.dat (100%) rename source/{module_base => source_base}/test/element_basis_index_test.cpp (100%) rename source/{module_base => source_base}/test/formatter_test.cpp (99%) rename source/{module_base => source_base}/test/global_file_test.cpp (98%) rename source/{module_base => source_base}/test/global_function_test.cpp (100%) rename source/{module_base => source_base}/test/gram_schmidt_orth_test.cpp (100%) rename source/{module_base => source_base}/test/intarray_test.cpp (100%) rename source/{module_base => source_base}/test/inverse_matrix_test.cpp (100%) rename source/{module_base => source_base}/test/lapack_connector_test.cpp (100%) rename source/{module_base => source_base}/test/math_bspline_test.cpp (100%) rename source/{module_base => source_base}/test/math_chebyshev_test.cpp (100%) rename source/{module_base => source_base}/test/math_integral_test.cpp (99%) rename source/{module_base => source_base}/test/math_polyint_test.cpp (100%) rename source/{module_base => source_base}/test/math_sphbes_test.cpp (100%) rename source/{module_base => source_base}/test/math_ylmreal_test.cpp (99%) rename source/{module_base => source_base}/test/mathzone_add1_test.cpp (100%) rename source/{module_base => source_base}/test/mathzone_test.cpp (100%) rename source/{module_base => source_base}/test/matrix3_test.cpp (100%) rename source/{module_base => source_base}/test/matrix_test.cpp (100%) rename source/{module_base => source_base}/test/memory_test.cpp (100%) rename source/{module_base => source_base}/test/mymath_test.cpp (100%) rename source/{module_base => source_base}/test/ndarray_test.cpp (99%) rename source/{module_base => source_base}/test/opt_CG_test.cpp (100%) rename source/{module_base => source_base}/test/opt_TN_test.cpp (100%) rename source/{module_base => source_base}/test/opt_test_tools.cpp (100%) rename source/{module_base => source_base}/test/opt_test_tools.h (100%) rename source/{module_base => source_base}/test/perf_sphbes_test.cpp (100%) rename source/{module_base => source_base}/test/realarray_test.cpp (100%) rename source/{module_base => source_base}/test/sph_bessel_recursive_test.cpp (100%) rename source/{module_base => source_base}/test/spherical_bessel_transformer_test.cpp (99%) rename source/{module_base => source_base}/test/test_lebedev_laikov.cpp (97%) rename source/{module_base => source_base}/test/timer_test.cpp (100%) rename source/{module_base => source_base}/test/tool_check_test.cpp (100%) rename source/{module_base => source_base}/test/tool_quit_no_exit.cpp (100%) rename source/{module_base => source_base}/test/tool_quit_test.cpp (100%) rename source/{module_base => source_base}/test/tool_threading_test.cpp (100%) rename source/{module_base => source_base}/test/tool_title_test.cpp (100%) rename source/{module_base => source_base}/test/vector3_test.cpp (100%) rename source/{module_base => source_base}/test/ylm_test.cpp (100%) rename source/{module_base => source_base}/test_parallel/CMakeLists.txt (100%) rename source/{module_base => source_base}/test_parallel/blacs_connector_test.cpp (100%) rename source/{module_base => source_base}/test_parallel/blacs_connector_test.sh (100%) rename source/{module_base => source_base}/test_parallel/math_chebyshev_mpi_test.cpp (99%) rename source/{module_base => source_base}/test_parallel/parallel_2d_test.cpp (100%) rename source/{module_base => source_base}/test_parallel/parallel_2d_test.sh (100%) rename source/{module_base => source_base}/test_parallel/parallel_common_test.cpp (96%) rename source/{module_base => source_base}/test_parallel/parallel_common_test.sh (100%) rename source/{module_base => source_base}/test_parallel/parallel_global_test.cpp (99%) rename source/{module_base => source_base}/test_parallel/parallel_global_test.sh (100%) rename source/{module_base => source_base}/test_parallel/parallel_reduce_test.cpp (99%) rename source/{module_base => source_base}/test_parallel/parallel_reduce_test.sh (100%) rename source/{module_base => source_base}/test_parallel/test_para_gemm.cpp (100%) rename source/{module_base => source_base}/timer.cpp (99%) rename source/{module_base => source_base}/timer.h (100%) rename source/{module_base => source_base}/tool_check.cpp (100%) rename source/{module_base => source_base}/tool_check.h (100%) rename source/{module_base => source_base}/tool_quit.cpp (100%) rename source/{module_base => source_base}/tool_quit.h (100%) rename source/{module_base => source_base}/tool_threading.h (100%) rename source/{module_base => source_base}/tool_title.cpp (100%) rename source/{module_base => source_base}/tool_title.h (100%) rename source/{module_base => source_base}/vector3.h (100%) rename source/{module_base => source_base}/ylm.cpp (100%) rename source/{module_base => source_base}/ylm.h (100%) diff --git a/CMakeLists.txt b/CMakeLists.txt index 7914ecc00af..d4e265adbe4 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -167,7 +167,7 @@ set(ABACUS_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/source) set(ABACUS_TEST_DIR ${CMAKE_CURRENT_SOURCE_DIR}/tests) set(ABACUS_BIN_PATH ${CMAKE_CURRENT_BINARY_DIR}/${ABACUS_BIN_NAME}) include_directories(${ABACUS_SOURCE_DIR}) -include_directories(${ABACUS_SOURCE_DIR}/module_base/module_container) +include_directories(${ABACUS_SOURCE_DIR}/source_base/module_container) set(CMAKE_CXX_STANDARD 11) set(CMAKE_CXX_STANDARD_REQUIRED ON) diff --git a/docs/CONTRIBUTING.md b/docs/CONTRIBUTING.md index 916b0516bd8..6b8acf305e6 100644 --- a/docs/CONTRIBUTING.md +++ b/docs/CONTRIBUTING.md @@ -39,7 +39,7 @@ The source code of ABACUS is based on several modules. Under the ABACUS root dir For those who are interested in the source code, the following figure shows the structure of the source code. ```text -|-- module_base A basic module including +|-- source_base A basic module including | | (1) Mathematical library interface functions: BLAS, LAPACK, Scalapack; | | (2) Custom data classes: matrix, vector definitions and related functions; | | (3) Parallelization functions: MPI, OpenMP; @@ -183,7 +183,7 @@ pre-commit install ## Adding a unit test -We use [GoogleTest](https://github.com/google/googletest) as our test framework. Write your test under the corresponding module folder at `abacus-develop/tests`, then append the test to `tests/CMakeLists.txt`. If there are currently no unit tests provided for the module, do as follows. `module_base` provides a simple demonstration. +We use [GoogleTest](https://github.com/google/googletest) as our test framework. Write your test under the corresponding module folder at `abacus-develop/tests`, then append the test to `tests/CMakeLists.txt`. If there are currently no unit tests provided for the module, do as follows. `source_base` provides a simple demonstration. - Add a folder named `test` under the module. - Append the content below to `CMakeLists.txt` of the module: diff --git a/python/pyabacus/CMakeLists.txt b/python/pyabacus/CMakeLists.txt index 0de042e2db9..cfe4df5e7ec 100644 --- a/python/pyabacus/CMakeLists.txt +++ b/python/pyabacus/CMakeLists.txt @@ -12,7 +12,7 @@ find_package(pybind11 CONFIG REQUIRED) # set source path set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") -set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") +set(BASE_PATH "${ABACUS_SOURCE_DIR}/source_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") @@ -69,14 +69,14 @@ endif() include_directories( ${BASE_PATH} ${ABACUS_SOURCE_DIR} - ${ABACUS_SOURCE_DIR}/module_base/module_container + ${ABACUS_SOURCE_DIR}/source_base/module_container ) # add basic libraries set(CMAKE_POSITION_INDEPENDENT_CODE ON) # add base set(BASE_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/base") -add_subdirectory(${ABACUS_SOURCE_DIR}/module_base ${BASE_BINARY_DIR}) +add_subdirectory(${ABACUS_SOURCE_DIR}/source_base ${BASE_BINARY_DIR}) # add parameter set(PARAMETER_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/parameter") add_subdirectory(${ABACUS_SOURCE_DIR}/module_parameter ${PARAMETER_BINARY_DIR}) diff --git a/python/pyabacus/CONTRIBUTING.md b/python/pyabacus/CONTRIBUTING.md index 202e7385ac8..2806c59cd43 100644 --- a/python/pyabacus/CONTRIBUTING.md +++ b/python/pyabacus/CONTRIBUTING.md @@ -72,7 +72,7 @@ find_package(pybind11 CONFIG REQUIRED) ```cmake # Set source path set(ABACUS_SOURCE_DIR "${PROJECT_SOURCE_DIR}/../../source") -set(BASE_PATH "${ABACUS_SOURCE_DIR}/module_base") +set(BASE_PATH "${ABACUS_SOURCE_DIR}/source_base") set(NAO_PATH "${ABACUS_SOURCE_DIR}/module_basis/module_nao") set(HSOLVER_PATH "${ABACUS_SOURCE_DIR}/source_hsolver") set(PSI_PATH "${ABACUS_SOURCE_DIR}/module_psi") @@ -131,7 +131,7 @@ endif() include_directories( ${BASE_PATH} ${ABACUS_SOURCE_DIR} - ${ABACUS_SOURCE_DIR}/module_base/module_container + ${ABACUS_SOURCE_DIR}/source_base/module_container ) ``` - This section adds the necessary include directories for the project. @@ -141,7 +141,7 @@ include_directories( set(CMAKE_POSITION_INDEPENDENT_CODE ON) # Add base set(BASE_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/base") -add_subdirectory(${ABACUS_SOURCE_DIR}/module_base ${BASE_BINARY_DIR}) +add_subdirectory(${ABACUS_SOURCE_DIR}/source_base ${BASE_BINARY_DIR}) # Add parameter set(PARAMETER_BINARY_DIR "${PROJECT_SOURCE_DIR}/build/parameter") add_subdirectory(${ABACUS_SOURCE_DIR}/module_parameter ${PARAMETER_BINARY_DIR}) diff --git a/python/pyabacus/examples/indexmap.py b/python/pyabacus/examples/indexmap.py index f9917919d85..9cfc798d585 100644 --- a/python/pyabacus/examples/indexmap.py +++ b/python/pyabacus/examples/indexmap.py @@ -60,7 +60,7 @@ def _index_map(ntype, natom, lmax, nzeta=None): 0, 1, -1, 2, -2, 3, -3, ..., l, -l - (see module_base/ylm.cpp and module_base/math_ylmreal.cpp + (see source_base/ylm.cpp and source_base/math_ylmreal.cpp for details) ''' diff --git a/python/pyabacus/src/ModuleBase/py_base_math.cpp b/python/pyabacus/src/ModuleBase/py_base_math.cpp index b9803c81cd2..3b2c54ef631 100644 --- a/python/pyabacus/src/ModuleBase/py_base_math.cpp +++ b/python/pyabacus/src/ModuleBase/py_base_math.cpp @@ -1,9 +1,9 @@ #include #include -#include "module_base/math_sphbes.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" namespace py = pybind11; using namespace pybind11::literals; diff --git a/python/pyabacus/src/ModuleNAO/CMakeLists.txt b/python/pyabacus/src/ModuleNAO/CMakeLists.txt index b9b7fe99356..d09448e4545 100644 --- a/python/pyabacus/src/ModuleNAO/CMakeLists.txt +++ b/python/pyabacus/src/ModuleNAO/CMakeLists.txt @@ -13,12 +13,12 @@ list(APPEND _naos ${NAO_PATH}/two_center_integrator.cpp ${NAO_PATH}/two_center_table.cpp # dependency - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_ylm_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_kernel_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/kernels/math_kernel_op_vec.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_ylm_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_kernel_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/kernels/math_kernel_op_vec.cpp # ${ABACUS_SOURCE_DIR}/module_psi/kernels/psi_memory_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/module_device/memory_op.cpp - ${ABACUS_SOURCE_DIR}/module_base/module_device/device.cpp + ${ABACUS_SOURCE_DIR}/source_base/module_device/memory_op.cpp + ${ABACUS_SOURCE_DIR}/source_base/module_device/device.cpp ) add_library(naopack SHARED ${_naos} diff --git a/python/pyabacus/src/ModuleNAO/py_m_nao.cpp b/python/pyabacus/src/ModuleNAO/py_m_nao.cpp index 92c5084d44d..b832a42da64 100644 --- a/python/pyabacus/src/ModuleNAO/py_m_nao.cpp +++ b/python/pyabacus/src/ModuleNAO/py_m_nao.cpp @@ -2,7 +2,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/radial_collection.h" #include "module_basis/module_nao/two_center_integrator.h" diff --git a/python/pyabacus/src/hsolver/py_diago_cg.hpp b/python/pyabacus/src/hsolver/py_diago_cg.hpp index 95742ab62ca..63a6cccc82e 100644 --- a/python/pyabacus/src/hsolver/py_diago_cg.hpp +++ b/python/pyabacus/src/hsolver/py_diago_cg.hpp @@ -15,7 +15,7 @@ #include #include "source_hsolver/diago_cg.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" namespace py = pybind11; diff --git a/python/pyabacus/src/hsolver/py_hsolver.cpp b/python/pyabacus/src/hsolver/py_hsolver.cpp index 0ff95273571..c37ea43b4bf 100644 --- a/python/pyabacus/src/hsolver/py_hsolver.cpp +++ b/python/pyabacus/src/hsolver/py_hsolver.cpp @@ -6,8 +6,8 @@ #include #include "source_hsolver/diago_dav_subspace.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/types.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/types.h" #include "./py_diago_dav_subspace.hpp" #include "./py_diago_david.hpp" diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt index 062e93bbe9f..57289f0b1e1 100644 --- a/source/CMakeLists.txt +++ b/source/CMakeLists.txt @@ -1,4 +1,4 @@ -add_subdirectory(module_base) +add_subdirectory(source_base) add_subdirectory(module_cell) add_subdirectory(module_psi) add_subdirectory(module_elecstate) @@ -42,17 +42,17 @@ list(APPEND device_srcs # module_psi/kernels/psi_memory_op.cpp # module_psi/kernels/device.cpp - module_base/module_device/device.cpp - module_base/module_device/memory_op.cpp - module_base/kernels/math_kernel_op.cpp - module_base/kernels/math_kernel_op_vec.cpp + source_base/module_device/device.cpp + source_base/module_device/memory_op.cpp + source_base/kernels/math_kernel_op.cpp + source_base/kernels/math_kernel_op_vec.cpp module_hamilt_pw/hamilt_pwdft/kernels/force_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/onsite_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.cpp - module_base/kernels/math_ylm_op.cpp + source_base/kernels/math_ylm_op.cpp module_hamilt_general/module_xc/kernels/xc_functional_op.cpp ) @@ -70,15 +70,15 @@ if(USE_CUDA) module_elecstate/kernels/cuda/elecstate_op.cu # module_psi/kernels/cuda/memory_op.cu - module_base/module_device/cuda/memory_op.cu + source_base/module_device/cuda/memory_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/wf_op.cu module_hamilt_pw/hamilt_pwdft/kernels/cuda/vnl_op.cu - module_base/kernels/cuda/math_ylm_op.cu - module_base/kernels/cuda/math_kernel_op.cu - module_base/kernels/cuda/math_kernel_op_vec.cu + source_base/kernels/cuda/math_ylm_op.cu + source_base/kernels/cuda/math_kernel_op.cu + source_base/kernels/cuda/math_kernel_op_vec.cu module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu ) endif() @@ -97,22 +97,22 @@ if(USE_ROCM) module_elecstate/kernels/rocm/elecstate_op.hip.cu # module_psi/kernels/rocm/memory_op.hip.cu - module_base/module_device/rocm/memory_op.hip.cu + source_base/module_device/rocm/memory_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/force_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/stress_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/wf_op.hip.cu module_hamilt_pw/hamilt_pwdft/kernels/rocm/vnl_op.hip.cu - module_base/kernels/rocm/math_kernel_op.hip.cu - module_base/kernels/rocm/math_kernel_op_vec.hip.cu - module_base/kernels/rocm/math_ylm_op.hip.cu + source_base/kernels/rocm/math_kernel_op.hip.cu + source_base/kernels/rocm/math_kernel_op_vec.hip.cu + source_base/kernels/rocm/math_ylm_op.hip.cu module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu ) endif() if(USE_DSP) list(APPEND device_srcs - module_base/kernels/dsp/dsp_connector.cpp + source_base/kernels/dsp/dsp_connector.cpp ) endif() diff --git a/source/Makefile.Objects b/source/Makefile.Objects index d58f43f895b..53d6bf018a3 100644 --- a/source/Makefile.Objects +++ b/source/Makefile.Objects @@ -18,14 +18,14 @@ VPATH=./src_global:\ ./module_cell/module_neighbor:\ ./module_cell/module_symmetry:\ ./module_cell:\ -./module_base:\ -./module_base/kernels:\ -./module_base/module_container/base/core:\ -./module_base/module_container/ATen/core:\ -./module_base/module_container/ATen/kernels:\ -./module_base/module_container/ATen/ops:\ -./module_base/module_device:\ -./module_base/module_mixing:\ +./source_base:\ +./source_base/kernels:\ +./source_base/module_container/base/core:\ +./source_base/module_container/ATen/core:\ +./source_base/module_container/ATen/kernels:\ +./source_base/module_container/ATen/ops:\ +./source_base/module_device:\ +./source_base/module_mixing:\ ./module_md:\ ./module_basis/module_pw:\ ./module_basis/module_pw/module_fft:\ diff --git a/source/module_basis/module_ao/ORB_atomic.h b/source/module_basis/module_ao/ORB_atomic.h index 2539e0a0c95..71212f8b28f 100644 --- a/source/module_basis/module_ao/ORB_atomic.h +++ b/source/module_basis/module_ao/ORB_atomic.h @@ -3,8 +3,8 @@ #include -#include "module_base/intarray.h" -#include "module_base/vector3.h" +#include "source_base/intarray.h" +#include "source_base/vector3.h" #include "ORB_atomic_lm.h" class Numerical_Orbital_AtomRelation diff --git a/source/module_basis/module_ao/ORB_atomic_lm.cpp b/source/module_basis/module_ao/ORB_atomic_lm.cpp index 9807df4f3f3..72729e91ed8 100644 --- a/source/module_basis/module_ao/ORB_atomic_lm.cpp +++ b/source/module_basis/module_ao/ORB_atomic_lm.cpp @@ -1,11 +1,11 @@ #include "ORB_atomic_lm.h" -#include "module_base/sph_bessel_recursive.h" +#include "source_base/sph_bessel_recursive.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/constants.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/constants.h" #ifdef _OPENMP #include @@ -216,7 +216,7 @@ void Numerical_Orbital_Lm::copy_parameter( this->kcut = (nk-1) * this->dk; } -#include "module_base/mathzone_add1.h" +#include "source_base/mathzone_add1.h" void Numerical_Orbital_Lm::extra_uniform(const double &dr_uniform_in, const bool &force_flag) { ModuleBase::timer::tick("NOrbital_Lm", "extra_uniform"); diff --git a/source/module_basis/module_ao/ORB_atomic_lm.h b/source/module_basis/module_ao/ORB_atomic_lm.h index 134ad8316f4..9b2be4f01a3 100644 --- a/source/module_basis/module_ao/ORB_atomic_lm.h +++ b/source/module_basis/module_ao/ORB_atomic_lm.h @@ -8,8 +8,8 @@ #include using std::vector; -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" /** * CLASS Num_orbital_lm diff --git a/source/module_basis/module_ao/ORB_gaunt_table.cpp b/source/module_basis/module_ao/ORB_gaunt_table.cpp index 26dfc38ed87..e314bc87d61 100644 --- a/source/module_basis/module_ao/ORB_gaunt_table.cpp +++ b/source/module_basis/module_ao/ORB_gaunt_table.cpp @@ -1,13 +1,13 @@ #include #include #include "ORB_gaunt_table.h" -#include "module_base/timer.h" -#include "module_base/memory.h" -#include "module_base/mathzone.h" -#include "module_base/global_function.h" -#include "module_base/vector3.h" -#include "module_base/constants.h" -#include "module_base/math_ylmreal.h" +#include "source_base/timer.h" +#include "source_base/memory.h" +#include "source_base/mathzone.h" +#include "source_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/math_ylmreal.h" ORB_gaunt_table::ORB_gaunt_table(){} ORB_gaunt_table::~ORB_gaunt_table(){} diff --git a/source/module_basis/module_ao/ORB_gaunt_table.h b/source/module_basis/module_ao/ORB_gaunt_table.h index 3db96604b6c..6e4eed550c5 100644 --- a/source/module_basis/module_ao/ORB_gaunt_table.h +++ b/source/module_basis/module_ao/ORB_gaunt_table.h @@ -2,8 +2,8 @@ #define ORB_GAUNT_TABLE_H #include -#include "module_base/realarray.h" -#include "module_base/matrix.h" +#include "source_base/realarray.h" +#include "source_base/matrix.h" class ORB_gaunt_table { diff --git a/source/module_basis/module_ao/ORB_nonlocal.cpp b/source/module_basis/module_ao/ORB_nonlocal.cpp index 86ec82be224..d8775e0b367 100644 --- a/source/module_basis/module_ao/ORB_nonlocal.cpp +++ b/source/module_basis/module_ao/ORB_nonlocal.cpp @@ -1,5 +1,5 @@ #include "ORB_nonlocal.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" Numerical_Nonlocal::Numerical_Nonlocal() { diff --git a/source/module_basis/module_ao/ORB_nonlocal.h b/source/module_basis/module_ao/ORB_nonlocal.h index 8991620f168..bc5e5776aea 100644 --- a/source/module_basis/module_ao/ORB_nonlocal.h +++ b/source/module_basis/module_ao/ORB_nonlocal.h @@ -1,8 +1,8 @@ #ifndef NUMERICAL_NONLOCAL_H #define NUMERICAL_NONLOCAL_H -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" #include "ORB_nonlocal_lm.h" /** * \class Numerical_Nonlocal diff --git a/source/module_basis/module_ao/ORB_nonlocal_lm.cpp b/source/module_basis/module_ao/ORB_nonlocal_lm.cpp index 9db01eb4a13..361ecda7a36 100644 --- a/source/module_basis/module_ao/ORB_nonlocal_lm.cpp +++ b/source/module_basis/module_ao/ORB_nonlocal_lm.cpp @@ -1,12 +1,12 @@ #include "ORB_nonlocal_lm.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/mathzone.h" /// use Polynomial_Interpolation_xy, Spherical_Bessel -#include "module_base/mathzone_add1.h" /// use SplineD2 +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/mathzone.h" /// use Polynomial_Interpolation_xy, Spherical_Bessel +#include "source_base/mathzone_add1.h" /// use SplineD2 #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_ao/ORB_read.cpp b/source/module_basis/module_ao/ORB_read.cpp index c1c77461eeb..36d5d55f354 100644 --- a/source/module_basis/module_ao/ORB_read.cpp +++ b/source/module_basis/module_ao/ORB_read.cpp @@ -1,9 +1,9 @@ #include "ORB_read.h" -#include "module_base/math_integral.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" -#include "module_base/tool_check.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" +#include "source_base/tool_check.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_ao/parallel_orbitals.cpp b/source/module_basis/module_ao/parallel_orbitals.cpp index 4b6132cac44..985c769565d 100644 --- a/source/module_basis/module_ao/parallel_orbitals.cpp +++ b/source/module_basis/module_ao/parallel_orbitals.cpp @@ -1,8 +1,8 @@ #include "parallel_orbitals.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/global_function.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/global_function.h" Parallel_Orbitals::Parallel_Orbitals() { diff --git a/source/module_basis/module_ao/parallel_orbitals.h b/source/module_basis/module_ao/parallel_orbitals.h index 77f094e3611..1ff74d3b2df 100644 --- a/source/module_basis/module_ao/parallel_orbitals.h +++ b/source/module_basis/module_ao/parallel_orbitals.h @@ -1,6 +1,6 @@ #ifndef _PARALLEL_ORBITALS_H_ #define _PARALLEL_ORBITALS_H_ -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include /// This class packs the information of 2D-block-cyclic for LCAO code: diff --git a/source/module_basis/module_ao/test/1_snap_equal_test.cpp b/source/module_basis/module_ao/test/1_snap_equal_test.cpp index 95e99fd3f6e..d29418ddad7 100644 --- a/source/module_basis/module_ao/test/1_snap_equal_test.cpp +++ b/source/module_basis/module_ao/test/1_snap_equal_test.cpp @@ -1,6 +1,6 @@ #include #include"ORB_unittest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" //Test whether the 2-center-int results // and its derivative from two clases are equal. diff --git a/source/module_basis/module_ao/test/CMakeLists.txt b/source/module_basis/module_ao/test/CMakeLists.txt index 1cde85d51e8..a51a5aaeda7 100644 --- a/source/module_basis/module_ao/test/CMakeLists.txt +++ b/source/module_basis/module_ao/test/CMakeLists.txt @@ -1,35 +1,35 @@ remove_definitions(-D__EXX) list(APPEND depend_files - ../../../module_base/math_integral.cpp - ../../../module_base/math_sphbes.cpp - ../../../module_base/math_polyint.cpp - ../../../module_base/math_ylmreal.cpp - ../../../module_base/ylm.cpp - ../../../module_base/memory.cpp - ../../../module_base/blas_connector_base.cpp - ../../../module_base/blas_connector_vector.cpp - ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/complexarray.cpp - ../../../module_base/complexmatrix.cpp - ../../../module_base/matrix.cpp - ../../../module_base/realarray.cpp - ../../../module_base/intarray.cpp - ../../../module_base/sph_bessel_recursive-d1.cpp - ../../../module_base/sph_bessel_recursive-d2.cpp - ../../../module_base/tool_title.cpp - ../../../module_base/tool_quit.cpp - ../../../module_base/tool_check.cpp - ../../../module_base/timer.cpp - ../../../module_base/mathzone_add1.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_function.cpp - ../../../module_base/global_file.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp - ../../../module_base/spherical_bessel_transformer.cpp - ../../../module_base/cubic_spline.cpp - ../../../module_base/parallel_2d.cpp + ../../../source_base/math_integral.cpp + ../../../source_base/math_sphbes.cpp + ../../../source_base/math_polyint.cpp + ../../../source_base/math_ylmreal.cpp + ../../../source_base/ylm.cpp + ../../../source_base/memory.cpp + ../../../source_base/blas_connector_base.cpp + ../../../source_base/blas_connector_vector.cpp + ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/complexarray.cpp + ../../../source_base/complexmatrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/realarray.cpp + ../../../source_base/intarray.cpp + ../../../source_base/sph_bessel_recursive-d1.cpp + ../../../source_base/sph_bessel_recursive-d2.cpp + ../../../source_base/tool_title.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/tool_check.cpp + ../../../source_base/timer.cpp + ../../../source_base/mathzone_add1.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_function.cpp + ../../../source_base/global_file.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/spherical_bessel_transformer.cpp + ../../../source_base/cubic_spline.cpp + ../../../source_base/parallel_2d.cpp ../ORB_read.cpp ../ORB_atomic.cpp ../ORB_atomic_lm.cpp diff --git a/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp b/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp index bf46859517a..80f1fafc9b6 100644 --- a/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp +++ b/source/module_basis/module_ao/test/ORB_atomic_lm_test.cpp @@ -1,5 +1,5 @@ #include "gtest/gtest.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp b/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp index c2cf09ba087..52f22492668 100644 --- a/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp +++ b/source/module_basis/module_ao/test/ORB_nonlocal_lm_test.cpp @@ -1,10 +1,10 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" #include #include diff --git a/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp b/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp index d1654144d18..b02b2843199 100644 --- a/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp +++ b/source/module_basis/module_ao/test/ORB_nonlocal_test.cpp @@ -1,5 +1,5 @@ #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_basis/module_ao/ORB_nonlocal.h" diff --git a/source/module_basis/module_ao/test/ORB_read_test.cpp b/source/module_basis/module_ao/test/ORB_read_test.cpp index 13385ecad48..088448f0f1d 100644 --- a/source/module_basis/module_ao/test/ORB_read_test.cpp +++ b/source/module_basis/module_ao/test/ORB_read_test.cpp @@ -1,6 +1,6 @@ #include #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_atomic.h" #include "module_basis/module_ao/ORB_atomic_lm.h" diff --git a/source/module_basis/module_ao/test/ORB_unittest.h b/source/module_basis/module_ao/test/ORB_unittest.h index 509a72541c1..92883392812 100644 --- a/source/module_basis/module_ao/test/ORB_unittest.h +++ b/source/module_basis/module_ao/test/ORB_unittest.h @@ -1,7 +1,7 @@ #ifndef _ORBUNITTEST_ #define _ORBUNITTEST_ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_basis/module_ao/ORB_control.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_basis/module_nao/atomic_radials.cpp b/source/module_basis/module_nao/atomic_radials.cpp index 42a9867662d..a27266202be 100644 --- a/source/module_basis/module_nao/atomic_radials.cpp +++ b/source/module_basis/module_nao/atomic_radials.cpp @@ -1,13 +1,13 @@ #include "module_basis/module_nao/atomic_radials.h" -#include "module_base/math_integral.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" // FIXME: should update with pyabacus // #include "module_io/orb_io.h" -#include "module_base/projgen.h" +#include "source_base/projgen.h" #include #include diff --git a/source/module_basis/module_nao/beta_radials.cpp b/source/module_basis/module_nao/beta_radials.cpp index fdef1822d03..f220ed95b8b 100644 --- a/source/module_basis/module_nao/beta_radials.cpp +++ b/source/module_basis/module_nao/beta_radials.cpp @@ -1,9 +1,9 @@ #include "module_basis/module_nao/beta_radials.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" #include diff --git a/source/module_basis/module_nao/hydrogen_radials.cpp b/source/module_basis/module_nao/hydrogen_radials.cpp index a0e6479774a..a342f877ba9 100644 --- a/source/module_basis/module_nao/hydrogen_radials.cpp +++ b/source/module_basis/module_nao/hydrogen_radials.cpp @@ -1,7 +1,7 @@ #include "module_basis/module_nao/hydrogen_radials.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/atom_in.h" // for calculating slater screening constant +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/atom_in.h" // for calculating slater screening constant #include #include #include diff --git a/source/module_basis/module_nao/hydrogen_radials.h b/source/module_basis/module_nao/hydrogen_radials.h index a1242fb7097..0013cc46f45 100644 --- a/source/module_basis/module_nao/hydrogen_radials.h +++ b/source/module_basis/module_nao/hydrogen_radials.h @@ -2,7 +2,7 @@ #define HYDROGEN_RADIALS_H_ #include "module_basis/module_nao/radial_set.h" -#include "module_base/assoc_laguerre.h" +#include "source_base/assoc_laguerre.h" // include pair container #include // include map container diff --git a/source/module_basis/module_nao/numerical_radial.cpp b/source/module_basis/module_nao/numerical_radial.cpp index f7f039c04ea..6ce5b4270ff 100644 --- a/source/module_basis/module_nao/numerical_radial.cpp +++ b/source/module_basis/module_nao/numerical_radial.cpp @@ -6,11 +6,11 @@ #include #include -#include "module_base/constants.h" -#include "module_base/cubic_spline.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/constants.h" +#include "source_base/cubic_spline.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_parameter/parameter.h" using ModuleBase::PI; diff --git a/source/module_basis/module_nao/numerical_radial.h b/source/module_basis/module_nao/numerical_radial.h index f94f5a88b14..18e9f2a00a6 100644 --- a/source/module_basis/module_nao/numerical_radial.h +++ b/source/module_basis/module_nao/numerical_radial.h @@ -5,7 +5,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_ao/ORB_atomic_lm.h" /** diff --git a/source/module_basis/module_nao/pswfc_radials.cpp b/source/module_basis/module_nao/pswfc_radials.cpp index b871025029a..d8cef912ebc 100644 --- a/source/module_basis/module_nao/pswfc_radials.cpp +++ b/source/module_basis/module_nao/pswfc_radials.cpp @@ -1,13 +1,13 @@ #include "module_basis/module_nao/pswfc_radials.h" -#include "module_base/math_integral.h" -#include "module_base/tool_quit.h" +#include "source_base/math_integral.h" +#include "source_base/tool_quit.h" #include #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif PswfcRadials& PswfcRadials::operator=(const PswfcRadials& rhs) diff --git a/source/module_basis/module_nao/radial_collection.cpp b/source/module_basis/module_nao/radial_collection.cpp index 10df8a6e5c9..0ab1f027cbd 100644 --- a/source/module_basis/module_nao/radial_collection.cpp +++ b/source/module_basis/module_nao/radial_collection.cpp @@ -1,14 +1,14 @@ #include "module_basis/module_nao/radial_collection.h" #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/atomic_radials.h" #include "module_basis/module_nao/beta_radials.h" #include "module_basis/module_nao/sphbes_radials.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" -#include "module_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" +#include "source_base/global_variable.h" #include "module_basis/module_nao/hydrogen_radials.h" #include "module_basis/module_nao/pswfc_radials.h" diff --git a/source/module_basis/module_nao/radial_set.cpp b/source/module_basis/module_nao/radial_set.cpp index 3b00ba679a3..44fe185ad7a 100644 --- a/source/module_basis/module_nao/radial_set.cpp +++ b/source/module_basis/module_nao/radial_set.cpp @@ -5,7 +5,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" // FIXME: should update with pyabacus // #include "module_io/orb_io.h" diff --git a/source/module_basis/module_nao/radial_set.h b/source/module_basis/module_nao/radial_set.h index b102a309510..8da82673a57 100644 --- a/source/module_basis/module_nao/radial_set.h +++ b/source/module_basis/module_nao/radial_set.h @@ -6,7 +6,7 @@ #include #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/numerical_radial.h" #include "module_basis/module_ao/ORB_nonlocal.h" #include "module_basis/module_ao/ORB_atomic.h" diff --git a/source/module_basis/module_nao/real_gaunt_table.cpp b/source/module_basis/module_nao/real_gaunt_table.cpp index 03f49a079a1..33ef67133c0 100644 --- a/source/module_basis/module_nao/real_gaunt_table.cpp +++ b/source/module_basis/module_nao/real_gaunt_table.cpp @@ -4,7 +4,7 @@ #include #include -#include "module_base/constants.h" +#include "source_base/constants.h" void RealGauntTable::build(const int lmax) { diff --git a/source/module_basis/module_nao/sphbes_radials.cpp b/source/module_basis/module_nao/sphbes_radials.cpp index 829b4460317..f71fb064c64 100644 --- a/source/module_basis/module_nao/sphbes_radials.cpp +++ b/source/module_basis/module_nao/sphbes_radials.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/sphbes_radials.h" -#include "module_base/math_sphbes.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_quit.h" +#include "source_base/math_sphbes.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_basis/module_nao/test/atomic_radials_test.cpp b/source/module_basis/module_nao/test/atomic_radials_test.cpp index f1a64c2e074..1dca3c668d2 100644 --- a/source/module_basis/module_nao/test/atomic_radials_test.cpp +++ b/source/module_basis/module_nao/test/atomic_radials_test.cpp @@ -1,14 +1,14 @@ #include "module_basis/module_nao/atomic_radials.h" #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_atomic.h" using ModuleBase::SphericalBesselTransformer; diff --git a/source/module_basis/module_nao/test/beta_radials_test.cpp b/source/module_basis/module_nao/test/beta_radials_test.cpp index d9378f28a06..d18024db098 100644 --- a/source/module_basis/module_nao/test/beta_radials_test.cpp +++ b/source/module_basis/module_nao/test/beta_radials_test.cpp @@ -6,8 +6,8 @@ #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" /*********************************************************** * Unit test of class "BetaRadials" diff --git a/source/module_basis/module_nao/test/hydrogen_radials_test.cpp b/source/module_basis/module_nao/test/hydrogen_radials_test.cpp index db169801d16..d472c70a43c 100644 --- a/source/module_basis/module_nao/test/hydrogen_radials_test.cpp +++ b/source/module_basis/module_nao/test/hydrogen_radials_test.cpp @@ -1,7 +1,7 @@ #include #include #include "module_basis/module_nao/hydrogen_radials.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/numerical_radial_test.cpp b/source/module_basis/module_nao/test/numerical_radial_test.cpp index 170699040d5..af6236a6c82 100644 --- a/source/module_basis/module_nao/test/numerical_radial_test.cpp +++ b/source/module_basis/module_nao/test/numerical_radial_test.cpp @@ -3,13 +3,13 @@ #include #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include #endif -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_basis/module_nao/numerical_radial.h" using ModuleBase::PI; diff --git a/source/module_basis/module_nao/test/projgen_test.cpp b/source/module_basis/module_nao/test/projgen_test.cpp index 2feaadfb7a8..620bd7786d6 100644 --- a/source/module_basis/module_nao/test/projgen_test.cpp +++ b/source/module_basis/module_nao/test/projgen_test.cpp @@ -1,9 +1,9 @@ -#include "module_base/projgen.h" +#include "source_base/projgen.h" #include "gtest/gtest.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/cubic_spline.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/cubic_spline.h" #include #include diff --git a/source/module_basis/module_nao/test/radial_collection_test.cpp b/source/module_basis/module_nao/test/radial_collection_test.cpp index 2838cd7294d..cdead420489 100644 --- a/source/module_basis/module_nao/test/radial_collection_test.cpp +++ b/source/module_basis/module_nao/test/radial_collection_test.cpp @@ -1,6 +1,6 @@ #include "module_basis/module_nao/radial_collection.h" #include "gtest/gtest.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/real_gaunt_table_test.cpp b/source/module_basis/module_nao/test/real_gaunt_table_test.cpp index 3f8c1980606..eb373620ef2 100644 --- a/source/module_basis/module_nao/test/real_gaunt_table_test.cpp +++ b/source/module_basis/module_nao/test/real_gaunt_table_test.cpp @@ -11,7 +11,7 @@ #include using iclock = std::chrono::high_resolution_clock; -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_basis/module_ao/ORB_gaunt_table.h" /*********************************************************** diff --git a/source/module_basis/module_nao/test/sphbes_radials_test.cpp b/source/module_basis/module_nao/test/sphbes_radials_test.cpp index 748ee3629d9..9f550bde5e4 100644 --- a/source/module_basis/module_nao/test/sphbes_radials_test.cpp +++ b/source/module_basis/module_nao/test/sphbes_radials_test.cpp @@ -2,8 +2,8 @@ #include "gtest/gtest.h" -#include "module_base/global_variable.h" -#include "module_base/math_sphbes.h" +#include "source_base/global_variable.h" +#include "source_base/math_sphbes.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/two_center_bundle_test.cpp b/source/module_basis/module_nao/test/two_center_bundle_test.cpp index a517b486d52..9d05b01f87d 100644 --- a/source/module_basis/module_nao/test/two_center_bundle_test.cpp +++ b/source/module_basis/module_nao/test/two_center_bundle_test.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_bundle.h" #include "gtest/gtest.h" -#include "module_base/ylm.h" -#include "module_base/global_variable.h" +#include "source_base/ylm.h" +#include "source_base/global_variable.h" #ifdef __MPI #include diff --git a/source/module_basis/module_nao/test/two_center_integrator_test.cpp b/source/module_basis/module_nao/test/two_center_integrator_test.cpp index c616504eed4..b0f8a8bf1c2 100644 --- a/source/module_basis/module_nao/test/two_center_integrator_test.cpp +++ b/source/module_basis/module_nao/test/two_center_integrator_test.cpp @@ -1,10 +1,10 @@ #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/constants.h" -#include "module_base/math_sphbes.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/math_sphbes.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_basis/module_nao/test/two_center_table_test.cpp b/source/module_basis/module_nao/test/two_center_table_test.cpp index 554f1cce3f7..1fc2afa0052 100644 --- a/source/module_basis/module_nao/test/two_center_table_test.cpp +++ b/source/module_basis/module_nao/test/two_center_table_test.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_table.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/spherical_bessel_transformer.h" #include "gtest/gtest.h" #include diff --git a/source/module_basis/module_nao/two_center_bundle.cpp b/source/module_basis/module_nao/two_center_bundle.cpp index e01ad1bfa20..081b0a72494 100644 --- a/source/module_basis/module_nao/two_center_bundle.cpp +++ b/source/module_basis/module_nao/two_center_bundle.cpp @@ -1,9 +1,9 @@ #include "module_basis/module_nao/two_center_bundle.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_common.h" -#include "module_base/ylm.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_common.h" +#include "source_base/ylm.h" #include "module_basis/module_nao/real_gaunt_table.h" #include "module_parameter/parameter.h" diff --git a/source/module_basis/module_nao/two_center_integrator.cpp b/source/module_basis/module_nao/two_center_integrator.cpp index cfacc0f07a1..a7bfb13e26d 100644 --- a/source/module_basis/module_nao/two_center_integrator.cpp +++ b/source/module_basis/module_nao/two_center_integrator.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" TwoCenterIntegrator::TwoCenterIntegrator(): is_tabulated_(false), diff --git a/source/module_basis/module_nao/two_center_integrator.h b/source/module_basis/module_nao/two_center_integrator.h index 0dd0c69a1cb..165960c2331 100644 --- a/source/module_basis/module_nao/two_center_integrator.h +++ b/source/module_basis/module_nao/two_center_integrator.h @@ -4,7 +4,7 @@ #include "module_basis/module_nao/two_center_table.h" #include "module_basis/module_nao/real_gaunt_table.h" #include "module_basis/module_nao/radial_collection.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" /*! * @brief A class to compute two-center integrals diff --git a/source/module_basis/module_nao/two_center_table.cpp b/source/module_basis/module_nao/two_center_table.cpp index f5f6e07193e..a2b5db84c05 100644 --- a/source/module_basis/module_nao/two_center_table.cpp +++ b/source/module_basis/module_nao/two_center_table.cpp @@ -1,8 +1,8 @@ #include "module_basis/module_nao/two_center_table.h" -#include "module_base/constants.h" -#include "module_base/cubic_spline.h" -#include "module_base/math_integral.h" +#include "source_base/constants.h" +#include "source_base/cubic_spline.h" +#include "source_base/math_integral.h" #include #include diff --git a/source/module_basis/module_nao/two_center_table.h b/source/module_basis/module_nao/two_center_table.h index dff8a215023..291fda87d31 100644 --- a/source/module_basis/module_nao/two_center_table.h +++ b/source/module_basis/module_nao/two_center_table.h @@ -2,7 +2,7 @@ #define TWO_CENTER_TABLE_H #include -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/radial_collection.h" class TwoCenterTable diff --git a/source/module_basis/module_pw/kernels/test/CMakeLists.txt b/source/module_basis/module_pw/kernels/test/CMakeLists.txt index b0c35b294a5..861474785a6 100644 --- a/source/module_basis/module_pw/kernels/test/CMakeLists.txt +++ b/source/module_basis/module_pw/kernels/test/CMakeLists.txt @@ -4,10 +4,10 @@ AddTest( TARGET PW_Kernels_UTs LIBS parameter ${math_libs} psi device SOURCES pw_op_test.cpp - ../../../../module_base/tool_quit.cpp ../../../../module_base/global_variable.cpp - ../../../../module_base/parallel_global.cpp ../../../../module_base/parallel_reduce.cpp - ../../../../module_base/parallel_comm.cpp - ../../../../module_base/complexmatrix.cpp ../../../../module_base/matrix.cpp ../../../../module_base/memory.cpp - ../../../../module_base/libm/branred.cpp ../../../../module_base/libm/sincos.cpp - ../../../../module_base/blas_connector_base.cpp ../../../../module_base/blas_connector_vector.cpp ../../../../module_base/blas_connector_matrix.cpp + ../../../../source_base/tool_quit.cpp ../../../../source_base/global_variable.cpp + ../../../../source_base/parallel_global.cpp ../../../../source_base/parallel_reduce.cpp + ../../../../source_base/parallel_comm.cpp + ../../../../source_base/complexmatrix.cpp ../../../../source_base/matrix.cpp ../../../../source_base/memory.cpp + ../../../../source_base/libm/branred.cpp ../../../../source_base/libm/sincos.cpp + ../../../../source_base/blas_connector_base.cpp ../../../../source_base/blas_connector_vector.cpp ../../../../source_base/blas_connector_matrix.cpp ) \ No newline at end of file diff --git a/source/module_basis/module_pw/kernels/test/pw_op_test.cpp b/source/module_basis/module_pw/kernels/test/pw_op_test.cpp index e9bc07bd9ea..cb09d4e682d 100644 --- a/source/module_basis/module_pw/kernels/test/pw_op_test.cpp +++ b/source/module_basis/module_pw/kernels/test/pw_op_test.cpp @@ -1,6 +1,6 @@ #include "module_basis/module_pw/kernels/pw_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_basis/module_pw/module_fft/fft_bundle.cpp b/source/module_basis/module_pw/module_fft/fft_bundle.cpp index 7c0edeab08a..8e318c8d6d5 100644 --- a/source/module_basis/module_pw/module_fft/fft_bundle.cpp +++ b/source/module_basis/module_pw/module_fft/fft_bundle.cpp @@ -1,8 +1,8 @@ #include "fft_bundle.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/tool_quit.h" #include #if defined(__CUDA) diff --git a/source/module_basis/module_pw/module_fft/fft_cuda.cpp b/source/module_basis/module_pw/module_fft/fft_cuda.cpp index aab80e29449..bbcc603491d 100644 --- a/source/module_basis/module_pw/module_fft/fft_cuda.cpp +++ b/source/module_basis/module_pw/module_fft/fft_cuda.cpp @@ -1,6 +1,6 @@ #include "fft_cuda.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModulePW diff --git a/source/module_basis/module_pw/module_fft/fft_dsp.cpp b/source/module_basis/module_pw/module_fft/fft_dsp.cpp index a463f340cc9..e26292cf5b4 100644 --- a/source/module_basis/module_pw/module_fft/fft_dsp.cpp +++ b/source/module_basis/module_pw/module_fft/fft_dsp.cpp @@ -1,6 +1,6 @@ #include "fft_dsp.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_basis/module_pw/module_fft/fft_rocm.cpp b/source/module_basis/module_pw/module_fft/fft_rocm.cpp index 1dd9c433ec1..0e947141b98 100644 --- a/source/module_basis/module_pw/module_fft/fft_rocm.cpp +++ b/source/module_basis/module_pw/module_fft/fft_rocm.cpp @@ -1,5 +1,5 @@ #include "fft_rocm.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_basis.cpp b/source/module_basis/module_pw/pw_basis.cpp index f4f7abf1dd7..6a27cda3970 100644 --- a/source/module_basis/module_pw/pw_basis.cpp +++ b/source/module_basis/module_pw/pw_basis.cpp @@ -1,9 +1,9 @@ #include "pw_basis.h" #include -#include "module_base/mymath.h" -#include "module_base/timer.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/timer.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_basis.h b/source/module_basis/module_pw/pw_basis.h index e0f5dd071bc..531245a81a3 100644 --- a/source/module_basis/module_pw/pw_basis.h +++ b/source/module_basis/module_pw/pw_basis.h @@ -1,11 +1,11 @@ #ifndef PWBASIS_H #define PWBASIS_H -#include "module_base/macros.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/macros.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include #include "module_fft/fft_bundle.h" #include diff --git a/source/module_basis/module_pw/pw_basis_big.h b/source/module_basis/module_pw/pw_basis_big.h index 18aa822f44b..2a04720877c 100644 --- a/source/module_basis/module_pw/pw_basis_big.h +++ b/source/module_basis/module_pw/pw_basis_big.h @@ -1,7 +1,7 @@ #ifndef PW_BASIS_BIG_H #define PW_BASIS_BIG_H -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #ifdef __MPI #include "mpi.h" #endif diff --git a/source/module_basis/module_pw/pw_basis_k.cpp b/source/module_basis/module_pw/pw_basis_k.cpp index a4689ab2d27..306369a7c65 100644 --- a/source/module_basis/module_pw/pw_basis_k.cpp +++ b/source/module_basis/module_pw/pw_basis_k.cpp @@ -1,8 +1,8 @@ #include "pw_basis_k.h" -#include "module_base/constants.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_basis/module_pw/pw_basis_k.h b/source/module_basis/module_pw/pw_basis_k.h index cf2202e2b35..a65db77ca26 100644 --- a/source/module_basis/module_pw/pw_basis_k.h +++ b/source/module_basis/module_pw/pw_basis_k.h @@ -3,7 +3,7 @@ #include "pw_basis.h" #include "module_psi/psi.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_basis_k_big.h b/source/module_basis/module_pw/pw_basis_k_big.h index 065f122924c..128c1d937d2 100644 --- a/source/module_basis/module_pw/pw_basis_k_big.h +++ b/source/module_basis/module_pw/pw_basis_k_big.h @@ -1,7 +1,7 @@ #ifndef PW_BASIS_K_BIG_H #define PW_BASIS_K_BIG_H -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" // temporary class, because previous ABACUS consider big grid for fft grids // which are used for grid integration in LCAO. diff --git a/source/module_basis/module_pw/pw_basis_sup.cpp b/source/module_basis/module_pw/pw_basis_sup.cpp index 1b420f60da3..6408bd36275 100644 --- a/source/module_basis/module_pw/pw_basis_sup.cpp +++ b/source/module_basis/module_pw/pw_basis_sup.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "pw_basis.h" #include "module_parameter/parameter.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_basis_sup.h b/source/module_basis/module_pw/pw_basis_sup.h index 1a093e86450..9e6ada0054a 100644 --- a/source/module_basis/module_pw/pw_basis_sup.h +++ b/source/module_basis/module_pw/pw_basis_sup.h @@ -1,7 +1,7 @@ #ifndef PWBASIS_SUP_H #define PWBASIS_SUP_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_distributeg.cpp b/source/module_basis/module_pw/pw_distributeg.cpp index 0ae3d51553e..e3f8b791bd5 100644 --- a/source/module_basis/module_pw/pw_distributeg.cpp +++ b/source/module_basis/module_pw/pw_distributeg.cpp @@ -1,7 +1,7 @@ #include "pw_basis.h" -#include "module_base/tool_quit.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_distributeg_method1.cpp b/source/module_basis/module_pw/pw_distributeg_method1.cpp index bd3de9e26b6..a3e3e4ac89d 100644 --- a/source/module_basis/module_pw/pw_distributeg_method1.cpp +++ b/source/module_basis/module_pw/pw_distributeg_method1.cpp @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/mymath.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_distributeg_method2.cpp b/source/module_basis/module_pw/pw_distributeg_method2.cpp index 2456a9d4ac3..7c2ae76fb19 100644 --- a/source/module_basis/module_pw/pw_distributeg_method2.cpp +++ b/source/module_basis/module_pw/pw_distributeg_method2.cpp @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/mymath.h" -#include "module_base/global_function.h" +#include "source_base/mymath.h" +#include "source_base/global_function.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_distributer.cpp b/source/module_basis/module_pw/pw_distributer.cpp index b4a577c12bd..cc2b14f7726 100644 --- a/source/module_basis/module_pw/pw_distributer.cpp +++ b/source/module_basis/module_pw/pw_distributer.cpp @@ -1,5 +1,5 @@ #include "pw_basis.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_gatherscatter.h b/source/module_basis/module_pw/pw_gatherscatter.h index 97be6e5c238..827182d997c 100644 --- a/source/module_basis/module_pw/pw_gatherscatter.h +++ b/source/module_basis/module_pw/pw_gatherscatter.h @@ -1,6 +1,6 @@ #include "pw_basis.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "typeinfo" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_init.cpp b/source/module_basis/module_pw/pw_init.cpp index b70662491eb..08c676d39f3 100644 --- a/source/module_basis/module_pw/pw_init.cpp +++ b/source/module_basis/module_pw/pw_init.cpp @@ -1,5 +1,5 @@ #include "pw_basis.h" -#include "module_base/constants.h" +#include "source_base/constants.h" namespace ModulePW { diff --git a/source/module_basis/module_pw/pw_transform.cpp b/source/module_basis/module_pw/pw_transform.cpp index 9d83d57e3cc..075e8bb6a11 100644 --- a/source/module_basis/module_pw/pw_transform.cpp +++ b/source/module_basis/module_pw/pw_transform.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "module_fft/fft_bundle.h" #include "pw_basis.h" diff --git a/source/module_basis/module_pw/pw_transform_gpu.cpp b/source/module_basis/module_pw/pw_transform_gpu.cpp index 6b3cfb045f8..1a8ecfc13d7 100644 --- a/source/module_basis/module_pw/pw_transform_gpu.cpp +++ b/source/module_basis/module_pw/pw_transform_gpu.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis.h" namespace ModulePW diff --git a/source/module_basis/module_pw/pw_transform_k.cpp b/source/module_basis/module_pw/pw_transform_k.cpp index 61fb2892c24..f6f40a88fe5 100644 --- a/source/module_basis/module_pw/pw_transform_k.cpp +++ b/source/module_basis/module_pw/pw_transform_k.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis_k.h" #include "pw_gatherscatter.h" diff --git a/source/module_basis/module_pw/pw_transform_k_dsp.cpp b/source/module_basis/module_pw/pw_transform_k_dsp.cpp index 8c33041c1fd..a2ed5ecc1a3 100644 --- a/source/module_basis/module_pw/pw_transform_k_dsp.cpp +++ b/source/module_basis/module_pw/pw_transform_k_dsp.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/kernels/pw_op.h" #include "pw_basis_k.h" #include "pw_gatherscatter.h" diff --git a/source/module_basis/module_pw/test/CMakeLists.txt b/source/module_basis/module_pw/test/CMakeLists.txt index 8b1038af93b..8fddff4322c 100644 --- a/source/module_basis/module_pw/test/CMakeLists.txt +++ b/source/module_basis/module_pw/test/CMakeLists.txt @@ -2,11 +2,11 @@ add_definitions(-D__NORMAL) AddTest( TARGET pw_test LIBS parameter ${math_libs} planewave device - SOURCES ../../../module_base/matrix.cpp ../../../module_base/complexmatrix.cpp ../../../module_base/matrix3.cpp ../../../module_base/tool_quit.cpp - ../../../module_base/mymath.cpp ../../../module_base/timer.cpp ../../../module_base/memory.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/libm/branred.cpp ../../../module_base/libm/sincos.cpp - ../../../module_base/module_device/memory_op.cpp + SOURCES ../../../source_base/matrix.cpp ../../../source_base/complexmatrix.cpp ../../../source_base/matrix3.cpp ../../../source_base/tool_quit.cpp + ../../../source_base/mymath.cpp ../../../source_base/timer.cpp ../../../source_base/memory.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/libm/branred.cpp ../../../source_base/libm/sincos.cpp + ../../../source_base/module_device/memory_op.cpp depend_mock.cpp pw_test.cpp test1-1-1.cpp test1-1-2.cpp test1-2.cpp test1-3.cpp test1-4.cpp test1-5.cpp test2-1-1.cpp test2-1-2.cpp test2-2.cpp test2-3.cpp test3-1.cpp test3-2.cpp test3-3.cpp test3-3-2.cpp diff --git a/source/module_basis/module_pw/test/Makefile b/source/module_basis/module_pw/test/Makefile index 0e60ff17bf8..7d62b4a997b 100644 --- a/source/module_basis/module_pw/test/Makefile +++ b/source/module_basis/module_pw/test/Makefile @@ -25,7 +25,7 @@ GTEST_DIR = /home/qianrui/gnucompile/g_gtest # Compiler information #========================== HONG = -D__NORMAL -INCLUDES = -I. -I../../../ -I../../../source_main -I../../../module_base/module_container +INCLUDES = -I. -I../../../ -I../../../source_main -I../../../source_base/module_container LIBS = OPTS = -Ofast -march=native -std=c++11 -m64 ${INCLUDES} OBJ_DIR = obj @@ -102,10 +102,10 @@ GTESTOPTS = -I${GTEST_DIR}/include -L${GTEST_DIR}/lib -lgtest -lpthread -w # Objects #========================== VPATH=../../../source_main\ -../../../module_base\ -../../../module_base/module_device\ -../../../module_base/module_container/ATen/core\ -../../../module_base/module_container/ATen\ +../../../source_base\ +../../../source_base/module_device\ +../../../source_base/module_container/ATen/core\ +../../../source_base/module_container/ATen\ ../../../module_parameter\ ../module_fft\ ../\ diff --git a/source/module_basis/module_pw/test/generate.cpp b/source/module_basis/module_pw/test/generate.cpp index 06876e4e8d0..31998b5c67b 100644 --- a/source/module_basis/module_pw/test/generate.cpp +++ b/source/module_basis/module_pw/test/generate.cpp @@ -1,9 +1,9 @@ #include "../pw_basis.h" #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test-big.cpp b/source/module_basis/module_pw/test/test-big.cpp index a000a4b1172..f1c2082d0b2 100644 --- a/source/module_basis/module_pw/test/test-big.cpp +++ b/source/module_basis/module_pw/test/test-big.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test-other.cpp b/source/module_basis/module_pw/test/test-other.cpp index 308f4c6c689..aee3c66ccd2 100644 --- a/source/module_basis/module_pw/test/test-other.cpp +++ b/source/module_basis/module_pw/test/test-other.cpp @@ -4,12 +4,12 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/module_device/types.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/module_device/types.h" #include "pw_test.h" #include "gmock/gmock.h" diff --git a/source/module_basis/module_pw/test/test1-1-1.cpp b/source/module_basis/module_pw/test/test1-1-1.cpp index a7ea166c66d..3eb9d8fd5e4 100644 --- a/source/module_basis/module_pw/test/test1-1-1.cpp +++ b/source/module_basis/module_pw/test/test1-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test1-1-2.cpp b/source/module_basis/module_pw/test/test1-1-2.cpp index 4f9aa5ec6f7..699d70c8030 100644 --- a/source/module_basis/module_pw/test/test1-1-2.cpp +++ b/source/module_basis/module_pw/test/test1-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test1-2-2.cpp b/source/module_basis/module_pw/test/test1-2-2.cpp index db5b9765fbe..2470c0a38fc 100644 --- a/source/module_basis/module_pw/test/test1-2-2.cpp +++ b/source/module_basis/module_pw/test/test1-2-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-2.cpp b/source/module_basis/module_pw/test/test1-2.cpp index 6f76590a819..add240917d0 100644 --- a/source/module_basis/module_pw/test/test1-2.cpp +++ b/source/module_basis/module_pw/test/test1-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-3.cpp b/source/module_basis/module_pw/test/test1-3.cpp index bb2103212ea..19323b1f782 100644 --- a/source/module_basis/module_pw/test/test1-3.cpp +++ b/source/module_basis/module_pw/test/test1-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-4.cpp b/source/module_basis/module_pw/test/test1-4.cpp index 4ea6ec5c9e9..e2e0520a3de 100644 --- a/source/module_basis/module_pw/test/test1-4.cpp +++ b/source/module_basis/module_pw/test/test1-4.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test1-5.cpp b/source/module_basis/module_pw/test/test1-5.cpp index 6729192d8ab..7750694a14b 100644 --- a/source/module_basis/module_pw/test/test1-5.cpp +++ b/source/module_basis/module_pw/test/test1-5.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test2-1-1.cpp b/source/module_basis/module_pw/test/test2-1-1.cpp index a41e92a49ba..57a70c6af38 100644 --- a/source/module_basis/module_pw/test/test2-1-1.cpp +++ b/source/module_basis/module_pw/test/test2-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test2-1-2.cpp b/source/module_basis/module_pw/test/test2-1-2.cpp index 0a5713aabfa..38247478001 100644 --- a/source/module_basis/module_pw/test/test2-1-2.cpp +++ b/source/module_basis/module_pw/test/test2-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test2-2.cpp b/source/module_basis/module_pw/test/test2-2.cpp index 8ce6db3c1c9..d9d6d7b8c33 100644 --- a/source/module_basis/module_pw/test/test2-2.cpp +++ b/source/module_basis/module_pw/test/test2-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test2-3.cpp b/source/module_basis/module_pw/test/test2-3.cpp index 5f1d1b0cb57..a611ac8ef36 100644 --- a/source/module_basis/module_pw/test/test2-3.cpp +++ b/source/module_basis/module_pw/test/test2-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-1.cpp b/source/module_basis/module_pw/test/test3-1.cpp index 800aa4dec67..33ac4f46b08 100644 --- a/source/module_basis/module_pw/test/test3-1.cpp +++ b/source/module_basis/module_pw/test/test3-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test3-2.cpp b/source/module_basis/module_pw/test/test3-2.cpp index 9c667ab5745..439fa2e811b 100644 --- a/source/module_basis/module_pw/test/test3-2.cpp +++ b/source/module_basis/module_pw/test/test3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-3-2.cpp b/source/module_basis/module_pw/test/test3-3-2.cpp index 46decccd207..e86555c5deb 100644 --- a/source/module_basis/module_pw/test/test3-3-2.cpp +++ b/source/module_basis/module_pw/test/test3-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test3-3.cpp b/source/module_basis/module_pw/test/test3-3.cpp index 91953248924..fb6b471bf81 100644 --- a/source/module_basis/module_pw/test/test3-3.cpp +++ b/source/module_basis/module_pw/test/test3-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-1.cpp b/source/module_basis/module_pw/test/test4-1.cpp index 06c8a5d7166..0e6e17c82da 100644 --- a/source/module_basis/module_pw/test/test4-1.cpp +++ b/source/module_basis/module_pw/test/test4-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test4-2.cpp b/source/module_basis/module_pw/test/test4-2.cpp index e1941a4b2f9..32c51be2217 100644 --- a/source/module_basis/module_pw/test/test4-2.cpp +++ b/source/module_basis/module_pw/test/test4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-3.cpp b/source/module_basis/module_pw/test/test4-3.cpp index 37007667438..a3e942bfc41 100644 --- a/source/module_basis/module_pw/test/test4-3.cpp +++ b/source/module_basis/module_pw/test/test4-3.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-4.cpp b/source/module_basis/module_pw/test/test4-4.cpp index 7eb02413183..cde571e91c6 100644 --- a/source/module_basis/module_pw/test/test4-4.cpp +++ b/source/module_basis/module_pw/test/test4-4.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test4-5.cpp b/source/module_basis/module_pw/test/test4-5.cpp index c2aea38c8c4..22235eff810 100644 --- a/source/module_basis/module_pw/test/test4-5.cpp +++ b/source/module_basis/module_pw/test/test4-5.cpp @@ -4,11 +4,11 @@ #include "../pw_basis_k.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-1-1.cpp b/source/module_basis/module_pw/test/test5-1-1.cpp index f669733eee2..1fb800d9e97 100644 --- a/source/module_basis/module_pw/test/test5-1-1.cpp +++ b/source/module_basis/module_pw/test/test5-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-1-2.cpp b/source/module_basis/module_pw/test/test5-1-2.cpp index 77cec7c36a1..50b6c17c494 100644 --- a/source/module_basis/module_pw/test/test5-1-2.cpp +++ b/source/module_basis/module_pw/test/test5-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-2-1.cpp b/source/module_basis/module_pw/test/test5-2-1.cpp index fdc624522ba..a05306285d7 100644 --- a/source/module_basis/module_pw/test/test5-2-1.cpp +++ b/source/module_basis/module_pw/test/test5-2-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-2-2.cpp b/source/module_basis/module_pw/test/test5-2-2.cpp index 530e27be2af..080a58af6ff 100644 --- a/source/module_basis/module_pw/test/test5-2-2.cpp +++ b/source/module_basis/module_pw/test/test5-2-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test5-3-1.cpp b/source/module_basis/module_pw/test/test5-3-1.cpp index 5ce5d80dead..29ff78927a5 100644 --- a/source/module_basis/module_pw/test/test5-3-1.cpp +++ b/source/module_basis/module_pw/test/test5-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-4-1.cpp b/source/module_basis/module_pw/test/test5-4-1.cpp index ac6a38c1b85..6743e8b6e80 100644 --- a/source/module_basis/module_pw/test/test5-4-1.cpp +++ b/source/module_basis/module_pw/test/test5-4-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test5-4-2.cpp b/source/module_basis/module_pw/test/test5-4-2.cpp index 4aefc7e49dc..b86b423715f 100644 --- a/source/module_basis/module_pw/test/test5-4-2.cpp +++ b/source/module_basis/module_pw/test/test5-4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-1-1.cpp b/source/module_basis/module_pw/test/test6-1-1.cpp index 904b120f62b..d7cce63c827 100644 --- a/source/module_basis/module_pw/test/test6-1-1.cpp +++ b/source/module_basis/module_pw/test/test6-1-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-1-2.cpp b/source/module_basis/module_pw/test/test6-1-2.cpp index f9434655c5f..8aa431441c0 100644 --- a/source/module_basis/module_pw/test/test6-1-2.cpp +++ b/source/module_basis/module_pw/test/test6-1-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-2-1.cpp b/source/module_basis/module_pw/test/test6-2-1.cpp index 684c95d2e75..8473553e00a 100644 --- a/source/module_basis/module_pw/test/test6-2-1.cpp +++ b/source/module_basis/module_pw/test/test6-2-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-2-2.cpp b/source/module_basis/module_pw/test/test6-2-2.cpp index ae3fe8e3378..87a8b19af19 100644 --- a/source/module_basis/module_pw/test/test6-2-2.cpp +++ b/source/module_basis/module_pw/test/test6-2-2.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test6-3-1.cpp b/source/module_basis/module_pw/test/test6-3-1.cpp index 76e44d34f60..8531a230d5b 100644 --- a/source/module_basis/module_pw/test/test6-3-1.cpp +++ b/source/module_basis/module_pw/test/test6-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-4-1.cpp b/source/module_basis/module_pw/test/test6-4-1.cpp index 646c6623998..e87cd67d3bf 100644 --- a/source/module_basis/module_pw/test/test6-4-1.cpp +++ b/source/module_basis/module_pw/test/test6-4-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test6-4-2.cpp b/source/module_basis/module_pw/test/test6-4-2.cpp index 3e8531bdb8e..31d4c90e5e7 100644 --- a/source/module_basis/module_pw/test/test6-4-2.cpp +++ b/source/module_basis/module_pw/test/test6-4-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-1.cpp b/source/module_basis/module_pw/test/test7-1.cpp index 7ec6630061b..8492779792e 100644 --- a/source/module_basis/module_pw/test/test7-1.cpp +++ b/source/module_basis/module_pw/test/test7-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test7-2-1.cpp b/source/module_basis/module_pw/test/test7-2-1.cpp index d79768285c0..50dac0fad80 100644 --- a/source/module_basis/module_pw/test/test7-2-1.cpp +++ b/source/module_basis/module_pw/test/test7-2-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-3-1.cpp b/source/module_basis/module_pw/test/test7-3-1.cpp index 7970368d749..10f13b7defc 100644 --- a/source/module_basis/module_pw/test/test7-3-1.cpp +++ b/source/module_basis/module_pw/test/test7-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test7-3-2.cpp b/source/module_basis/module_pw/test/test7-3-2.cpp index 279efb21ce2..66ed6cc6d8f 100644 --- a/source/module_basis/module_pw/test/test7-3-2.cpp +++ b/source/module_basis/module_pw/test/test7-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-1.cpp b/source/module_basis/module_pw/test/test8-1.cpp index ee7e8dc9851..0204e14fa41 100644 --- a/source/module_basis/module_pw/test/test8-1.cpp +++ b/source/module_basis/module_pw/test/test8-1.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/global_function.h" -#include "module_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" #include "pw_test.h" extern int nproc_in_pool,rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test/test8-2-1.cpp b/source/module_basis/module_pw/test/test8-2-1.cpp index 351c77e8354..9f796162d24 100644 --- a/source/module_basis/module_pw/test/test8-2-1.cpp +++ b/source/module_basis/module_pw/test/test8-2-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-3-1.cpp b/source/module_basis/module_pw/test/test8-3-1.cpp index 6dbbb73f7c2..b40dac1e21b 100644 --- a/source/module_basis/module_pw/test/test8-3-1.cpp +++ b/source/module_basis/module_pw/test/test8-3-1.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test8-3-2.cpp b/source/module_basis/module_pw/test/test8-3-2.cpp index e60d878f6c3..563cad8e851 100644 --- a/source/module_basis/module_pw/test/test8-3-2.cpp +++ b/source/module_basis/module_pw/test/test8-3-2.cpp @@ -4,11 +4,11 @@ #include "../pw_basis.h" #ifdef __MPI #include "test_tool.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" using namespace std; diff --git a/source/module_basis/module_pw/test/test_sup.cpp b/source/module_basis/module_pw/test/test_sup.cpp index c3a10a85fce..188aabc4eda 100644 --- a/source/module_basis/module_pw/test/test_sup.cpp +++ b/source/module_basis/module_pw/test/test_sup.cpp @@ -1,11 +1,11 @@ #include "../pw_basis.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #include "test_tool.h" #endif -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "pw_test.h" extern int nproc_in_pool, rank_in_pool; using namespace std; diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp index 9ec1f00ce06..dab015bf519 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_C2C.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp index 398805c2efe..635dfd29353 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_C2R.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include diff --git a/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp b/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp index fe215a08415..9772c6e2fa3 100644 --- a/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp +++ b/source/module_basis/module_pw/test_gpu/pw_basis_k_C2C.cpp @@ -1,7 +1,7 @@ #include "cuda_runtime.h" #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/vector3.h" +#include "source_base/module_device/device.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" diff --git a/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp b/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp index 2b4b4fc6ced..84932bae2ff 100644 --- a/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp +++ b/source/module_basis/module_pw/test_serial/pw_basis_k_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/matrix3.h" /************************************************ * serial unit test of functions in pw_basis.cpp diff --git a/source/module_basis/module_pw/test_serial/pw_basis_test.cpp b/source/module_basis/module_pw/test_serial/pw_basis_test.cpp index 0814263ef2c..ea678b9d97c 100644 --- a/source/module_basis/module_pw/test_serial/pw_basis_test.cpp +++ b/source/module_basis/module_pw/test_serial/pw_basis_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" -#include "module_base/global_function.h" -#include "module_base/constants.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/matrix3.h" /************************************************ * serial unit test of functions in pw_basis.cpp diff --git a/source/module_cell/atom_pseudo.cpp b/source/module_cell/atom_pseudo.cpp index 0b6767f8ed6..f4a6dae50d0 100644 --- a/source/module_cell/atom_pseudo.cpp +++ b/source/module_cell/atom_pseudo.cpp @@ -142,7 +142,7 @@ void Atom_pseudo::set_d_so(ModuleBase::ComplexMatrix& d_so_in, return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void Atom_pseudo::bcast_atom_pseudo() diff --git a/source/module_cell/atom_pseudo.h b/source/module_cell/atom_pseudo.h index c02687c78f1..356798d5fbd 100644 --- a/source/module_cell/atom_pseudo.h +++ b/source/module_cell/atom_pseudo.h @@ -1,11 +1,11 @@ #ifndef ATOM_PSEUDO_H #define ATOM_PSEUDO_H -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_io/output.h" -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" #include "pseudo.h" diff --git a/source/module_cell/atom_spec.cpp b/source/module_cell/atom_spec.cpp index db6e9086e58..6cf293c69e8 100644 --- a/source/module_cell/atom_spec.cpp +++ b/source/module_cell/atom_spec.cpp @@ -73,7 +73,7 @@ void Atom::print_Atom(std::ofstream& ofs) return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void Atom::bcast_atom() { diff --git a/source/module_cell/bcast_cell.cpp b/source/module_cell/bcast_cell.cpp index bb07b54e820..d0863df131e 100644 --- a/source/module_cell/bcast_cell.cpp +++ b/source/module_cell/bcast_cell.cpp @@ -1,5 +1,5 @@ #include "unitcell.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __EXX #include "module_ri/serialization_cereal.h" diff --git a/source/module_cell/cell_index.cpp b/source/module_cell/cell_index.cpp index 3470d1ee827..75708dec76a 100644 --- a/source/module_cell/cell_index.cpp +++ b/source/module_cell/cell_index.cpp @@ -1,7 +1,7 @@ #include "cell_index.h" -#include "module_base/name_angular.h" -#include "module_base/tool_quit.h" +#include "source_base/name_angular.h" +#include "source_base/tool_quit.h" #include CellIndex::CellIndex(const std::vector& atomLabels_in, diff --git a/source/module_cell/check_atomic_stru.cpp b/source/module_cell/check_atomic_stru.cpp index b22cfe985d8..f2c55f71011 100644 --- a/source/module_cell/check_atomic_stru.cpp +++ b/source/module_cell/check_atomic_stru.cpp @@ -1,7 +1,7 @@ #include "check_atomic_stru.h" -#include "module_base/element_covalent_radius.h" -#include "module_base/timer.h" +#include "source_base/element_covalent_radius.h" +#include "source_base/timer.h" namespace unitcell { diff --git a/source/module_cell/k_vector_utils.cpp b/source/module_cell/k_vector_utils.cpp index a9dd7e7f56d..db804889798 100644 --- a/source/module_cell/k_vector_utils.cpp +++ b/source/module_cell/k_vector_utils.cpp @@ -4,12 +4,12 @@ #include "k_vector_utils.h" #include "klist.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" -#include "module_base/formatter.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/formatter.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" namespace KVectorUtils diff --git a/source/module_cell/k_vector_utils.h b/source/module_cell/k_vector_utils.h index c492a49ad0d..0270ad9a476 100644 --- a/source/module_cell/k_vector_utils.h +++ b/source/module_cell/k_vector_utils.h @@ -5,8 +5,8 @@ #ifndef K_VECTOR_UTILS_H #define K_VECTOR_UTILS_H -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" class K_Vectors; diff --git a/source/module_cell/klist.cpp b/source/module_cell/klist.cpp index da5f9f16a02..3ae6984be93 100644 --- a/source/module_cell/klist.cpp +++ b/source/module_cell/klist.cpp @@ -1,11 +1,11 @@ #include "klist.h" #include "k_vector_utils.h" -#include "module_base/formatter.h" -#include "module_base/memory.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/formatter.h" +#include "source_base/memory.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" +#include "source_base/parallel_reduce.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/berryphase.h" diff --git a/source/module_cell/klist.h b/source/module_cell/klist.h index a832c1959f3..6fe95624e45 100644 --- a/source/module_cell/klist.h +++ b/source/module_cell/klist.h @@ -1,9 +1,9 @@ #ifndef K_VECTORS_H #define K_VECTORS_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "parallel_kpoints.h" #include "k_vector_utils.h" diff --git a/source/module_cell/module_neighbor/sltk_atom.h b/source/module_cell/module_neighbor/sltk_atom.h index 76b4a8c3143..94406417ae2 100644 --- a/source/module_cell/module_neighbor/sltk_atom.h +++ b/source/module_cell/module_neighbor/sltk_atom.h @@ -3,7 +3,7 @@ #include #include "sltk_util.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include // a class contains the atom position, diff --git a/source/module_cell/module_neighbor/sltk_atom_arrange.cpp b/source/module_cell/module_neighbor/sltk_atom_arrange.cpp index 24c72a4a12f..803382a0f69 100644 --- a/source/module_cell/module_neighbor/sltk_atom_arrange.cpp +++ b/source/module_cell/module_neighbor/sltk_atom_arrange.cpp @@ -1,6 +1,6 @@ #include "sltk_atom_arrange.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "sltk_grid.h" #include "sltk_grid_driver.h" diff --git a/source/module_cell/module_neighbor/sltk_grid.cpp b/source/module_cell/module_neighbor/sltk_grid.cpp index 73ccbcf9894..9b1d86b9577 100644 --- a/source/module_cell/module_neighbor/sltk_grid.cpp +++ b/source/module_cell/module_neighbor/sltk_grid.cpp @@ -1,9 +1,9 @@ #include "sltk_grid.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" Grid::Grid(const int& test_grid_in) : test_grid(test_grid_in) { diff --git a/source/module_cell/module_neighbor/sltk_grid_driver.cpp b/source/module_cell/module_neighbor/sltk_grid_driver.cpp index 01aaf63baec..018318aade5 100644 --- a/source/module_cell/module_neighbor/sltk_grid_driver.cpp +++ b/source/module_cell/module_neighbor/sltk_grid_driver.cpp @@ -1,8 +1,8 @@ #include "sltk_grid_driver.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef _OPENMP diff --git a/source/module_cell/module_neighbor/sltk_grid_driver.h b/source/module_cell/module_neighbor/sltk_grid_driver.h index 1316420a1ee..686739d92e4 100644 --- a/source/module_cell/module_neighbor/sltk_grid_driver.h +++ b/source/module_cell/module_neighbor/sltk_grid_driver.h @@ -1,9 +1,9 @@ #ifndef GRID_DRIVER_H #define GRID_DRIVER_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "sltk_atom.h" diff --git a/source/module_cell/module_neighbor/test/prepare_unitcell.h b/source/module_cell/module_neighbor/test/prepare_unitcell.h index a494215b9c2..7af6d01e909 100644 --- a/source/module_cell/module_neighbor/test/prepare_unitcell.h +++ b/source/module_cell/module_neighbor/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_cell/module_symmetry/run_symmetry.cpp b/source/module_cell/module_symmetry/run_symmetry.cpp index 2eff5fb0ae8..b950a805a7a 100644 --- a/source/module_cell/module_symmetry/run_symmetry.cpp +++ b/source/module_cell/module_symmetry/run_symmetry.cpp @@ -3,8 +3,8 @@ #include #include #include "symmetry.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" void calculate(); diff --git a/source/module_cell/module_symmetry/symm_other.h b/source/module_cell/module_symmetry/symm_other.h index 8107d7f6320..a2295ded183 100644 --- a/source/module_cell/module_symmetry/symm_other.h +++ b/source/module_cell/module_symmetry/symm_other.h @@ -1,8 +1,8 @@ #ifndef SYMM_OTHER_H #define SYMM_OTHER_H -#include "module_base/vector3.h" -#include "module_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/global_function.h" namespace ModuleSymmetry { namespace Symm_Other diff --git a/source/module_cell/module_symmetry/symm_rho.cpp b/source/module_cell/module_symmetry/symm_rho.cpp index 858054df233..0b5bac03b9d 100644 --- a/source/module_cell/module_symmetry/symm_rho.cpp +++ b/source/module_cell/module_symmetry/symm_rho.cpp @@ -1,7 +1,7 @@ #include "symmetry.h" using namespace ModuleSymmetry; -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" void Symmetry::rho_symmetry( double *rho, diff --git a/source/module_cell/module_symmetry/symmetry.h b/source/module_cell/module_symmetry/symmetry.h index 748ca49d58a..a8d9636405f 100644 --- a/source/module_cell/module_symmetry/symmetry.h +++ b/source/module_cell/module_symmetry/symmetry.h @@ -3,9 +3,9 @@ #include "module_cell/unitcell_data.h" #include "module_cell/atom_spec.h" -#include "module_base/timer.h" -#include "module_base/mathzone.h" -#include "module_base/constants.h" +#include "source_base/timer.h" +#include "source_base/mathzone.h" +#include "source_base/constants.h" #include "module_io/output.h" #include "symmetry_basic.h" diff --git a/source/module_cell/module_symmetry/symmetry_basic.cpp b/source/module_cell/module_symmetry/symmetry_basic.cpp index dffa59f69d7..955e2a2157a 100644 --- a/source/module_cell/module_symmetry/symmetry_basic.cpp +++ b/source/module_cell/module_symmetry/symmetry_basic.cpp @@ -1,5 +1,5 @@ #include "symmetry.h" -#include "module_base/mymath.h" +#include "source_base/mymath.h" #include "module_parameter/parameter.h" bool ModuleSymmetry::test_brav = 0; diff --git a/source/module_cell/module_symmetry/symmetry_basic.h b/source/module_cell/module_symmetry/symmetry_basic.h index 5a2a5bf5678..7308a20df9f 100644 --- a/source/module_cell/module_symmetry/symmetry_basic.h +++ b/source/module_cell/module_symmetry/symmetry_basic.h @@ -5,9 +5,9 @@ #ifndef SYMMETRY_BASIC_H #define SYMMETRY_BASIC_H #include "symm_other.h" -#include "module_base/mymath.h" -#include "module_base/ylm.h" -#include "module_base/matrix3.h" +#include "source_base/mymath.h" +#include "source_base/ylm.h" +#include "source_base/matrix3.h" namespace ModuleSymmetry { class Symmetry_Basic diff --git a/source/module_cell/module_symmetry/test/symmetry_test.h b/source/module_cell/module_symmetry/test/symmetry_test.h index f50e045ff33..e22a3b73a3a 100644 --- a/source/module_cell/module_symmetry/test/symmetry_test.h +++ b/source/module_cell/module_symmetry/test/symmetry_test.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" #include "module_cell/unitcell.h" #include "gtest/gtest.h" diff --git a/source/module_cell/parallel_kpoints.cpp b/source/module_cell/parallel_kpoints.cpp index a0351e65604..2ca14090fba 100644 --- a/source/module_cell/parallel_kpoints.cpp +++ b/source/module_cell/parallel_kpoints.cpp @@ -1,7 +1,7 @@ #include "parallel_kpoints.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" // the kpoints here are reduced after symmetry applied. void Parallel_Kpoints::kinfo(int& nkstot_in, diff --git a/source/module_cell/parallel_kpoints.h b/source/module_cell/parallel_kpoints.h index 971a2849f2d..f29ae540fb7 100644 --- a/source/module_cell/parallel_kpoints.h +++ b/source/module_cell/parallel_kpoints.h @@ -1,10 +1,10 @@ #ifndef PARALLEL_KPOINTS_H #define PARALLEL_KPOINTS_H -#include "module_base/complexarray.h" -#include "module_base/global_function.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/global_function.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" class Parallel_Kpoints { diff --git a/source/module_cell/print_cell.cpp b/source/module_cell/print_cell.cpp index 3ad653ee836..5580f28f23c 100644 --- a/source/module_cell/print_cell.cpp +++ b/source/module_cell/print_cell.cpp @@ -2,9 +2,9 @@ #include #include "print_cell.h" -#include "module_base/formatter.h" -#include "module_base/tool_title.h" -#include "module_base/global_variable.h" +#include "source_base/formatter.h" +#include "source_base/tool_title.h" +#include "source_base/global_variable.h" namespace unitcell { diff --git a/source/module_cell/pseudo.cpp b/source/module_cell/pseudo.cpp index 7743e454474..e3124bbf4d2 100644 --- a/source/module_cell/pseudo.cpp +++ b/source/module_cell/pseudo.cpp @@ -1,5 +1,5 @@ #include "pseudo.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" pseudo::pseudo() { diff --git a/source/module_cell/pseudo.h b/source/module_cell/pseudo.h index 22af5875576..8613a492527 100644 --- a/source/module_cell/pseudo.h +++ b/source/module_cell/pseudo.h @@ -1,7 +1,7 @@ #ifndef PSEUDO_H #define PSEUDO_H -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_io/output.h" //----------------------------------------- diff --git a/source/module_cell/read_atom_species.cpp b/source/module_cell/read_atom_species.cpp index a969826bee7..1ff82d36676 100644 --- a/source/module_cell/read_atom_species.cpp +++ b/source/module_cell/read_atom_species.cpp @@ -1,7 +1,7 @@ #include "read_stru.h" #include "module_parameter/parameter.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" #ifdef __EXX #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_ri/serialization_cereal.h" diff --git a/source/module_cell/read_atoms.cpp b/source/module_cell/read_atoms.cpp index 2db4f1f6162..b2b729ce1fc 100644 --- a/source/module_cell/read_atoms.cpp +++ b/source/module_cell/read_atoms.cpp @@ -8,11 +8,11 @@ #include "module_cell/print_cell.h" #include "module_cell/read_stru.h" #include "module_elecstate/read_orb.h" -#include "module_base/timer.h" -#include "module_base/constants.h" +#include "source_base/timer.h" +#include "source_base/constants.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/formatter.h" -#include "module_base/mathzone.h" +#include "source_base/formatter.h" +#include "source_base/mathzone.h" #ifdef __LCAO #include "module_basis/module_ao/ORB_read.h" // to use 'ORB' -- mohan 2021-01-30 diff --git a/source/module_cell/read_pp.cpp b/source/module_cell/read_pp.cpp index c6bb4ab2082..99c1c96d3a0 100644 --- a/source/module_cell/read_pp.cpp +++ b/source/module_cell/read_pp.cpp @@ -9,7 +9,7 @@ #include #include -#include "module_base/math_integral.h" // for numerical integration +#include "source_base/math_integral.h" // for numerical integration Pseudopot_upf::Pseudopot_upf() { diff --git a/source/module_cell/read_pp.h b/source/module_cell/read_pp.h index 60292696398..1290950e92e 100644 --- a/source/module_cell/read_pp.h +++ b/source/module_cell/read_pp.h @@ -4,8 +4,8 @@ #include #include "atom_pseudo.h" -#include "module_base/matrix.h" -#include "module_base/realarray.h" +#include "source_base/matrix.h" +#include "source_base/realarray.h" class Pseudopot_upf { diff --git a/source/module_cell/read_pp_blps.cpp b/source/module_cell/read_pp_blps.cpp index 222565da19c..682f39dfdc0 100644 --- a/source/module_cell/read_pp_blps.cpp +++ b/source/module_cell/read_pp_blps.cpp @@ -1,6 +1,6 @@ #include "read_pp.h" -#include "module_base/atom_in.h" -#include "module_base/element_name.h" +#include "source_base/atom_in.h" +#include "source_base/element_name.h" int Pseudopot_upf::read_pseudo_blps(std::ifstream &ifs, Atom_pseudo& pp) { diff --git a/source/module_cell/read_stru.cpp b/source/module_cell/read_stru.cpp index 8cba080427d..d1d3141072d 100644 --- a/source/module_cell/read_stru.cpp +++ b/source/module_cell/read_stru.cpp @@ -1,7 +1,7 @@ #include "read_stru.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/mathzone.h" bool unitcell::check_tau(const Atom* atoms, const int& ntype, diff --git a/source/module_cell/setup_nonlocal.cpp b/source/module_cell/setup_nonlocal.cpp index c31557e25e5..5a31200b176 100644 --- a/source/module_cell/setup_nonlocal.cpp +++ b/source/module_cell/setup_nonlocal.cpp @@ -1,6 +1,6 @@ #include "setup_nonlocal.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __LCAO @@ -22,7 +22,7 @@ InfoNonlocal::~InfoNonlocal() delete[] nproj; } -#include "../module_base/complexmatrix.h" +#include "../source_base/complexmatrix.h" void InfoNonlocal::Set_NonLocal(const int& it, Atom* atom, int& n_projectors, diff --git a/source/module_cell/setup_nonlocal.h b/source/module_cell/setup_nonlocal.h index eef458968dd..85139282a60 100644 --- a/source/module_cell/setup_nonlocal.h +++ b/source/module_cell/setup_nonlocal.h @@ -2,8 +2,8 @@ #define INFONONLOCAL_H #include "atom_spec.h" -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" #include "../module_basis/module_ao/ORB_nonlocal.h" #include "../module_basis/module_ao/ORB_read.h" class InfoNonlocal diff --git a/source/module_cell/test/CMakeLists.txt b/source/module_cell/test/CMakeLists.txt index 149b394bcc8..d0a207aaa95 100644 --- a/source/module_cell/test/CMakeLists.txt +++ b/source/module_cell/test/CMakeLists.txt @@ -85,8 +85,8 @@ add_test(NAME MODULE_CELL_klist_test_para4 AddTest( TARGET MODULE_CELL_ParaKpoints LIBS parameter MPI::MPI_CXX - SOURCES parallel_kpoints_test.cpp ../../module_base/global_variable.cpp ../../module_base/parallel_global.cpp - ../../module_base/parallel_common.cpp ../../module_base/parallel_comm.cpp ../parallel_kpoints.cpp + SOURCES parallel_kpoints_test.cpp ../../source_base/global_variable.cpp ../../source_base/parallel_global.cpp + ../../source_base/parallel_common.cpp ../../source_base/parallel_comm.cpp ../parallel_kpoints.cpp ) find_program(BASH bash) diff --git a/source/module_cell/test/klist_test.cpp b/source/module_cell/test/klist_test.cpp index 3bedf060fc3..0185b2392ed 100644 --- a/source/module_cell/test/klist_test.cpp +++ b/source/module_cell/test/klist_test.cpp @@ -18,8 +18,8 @@ #include "module_io/berryphase.h" #include "module_parameter/parameter.h" #undef private -#include "module_base/mathzone.h" -#include "module_base/parallel_global.h" +#include "source_base/mathzone.h" +#include "source_base/parallel_global.h" #include "module_cell/parallel_kpoints.h" bool berryphase::berry_phase_flag = false; diff --git a/source/module_cell/test/klist_test_para.cpp b/source/module_cell/test/klist_test_para.cpp index f7cb12fec12..eee2da85c3f 100644 --- a/source/module_cell/test/klist_test_para.cpp +++ b/source/module_cell/test/klist_test_para.cpp @@ -1,5 +1,5 @@ -#include "module_base/mathzone.h" -#include "module_base/parallel_global.h" +#include "source_base/mathzone.h" +#include "source_base/parallel_global.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_cell/test/parallel_kpoints_test.cpp b/source/module_cell/test/parallel_kpoints_test.cpp index f5b82ecfd54..26abbf18155 100644 --- a/source/module_cell/test/parallel_kpoints_test.cpp +++ b/source/module_cell/test/parallel_kpoints_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/module_cell/test/unitcell_test.cpp b/source/module_cell/test/unitcell_test.cpp index 11c10d15fc0..78c988b8534 100644 --- a/source/module_cell/test/unitcell_test.cpp +++ b/source/module_cell/test/unitcell_test.cpp @@ -10,8 +10,8 @@ #include "module_cell/print_cell.h" #include "memory" #include "module_cell/read_stru.h" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "prepare_unitcell.h" #include "module_cell/update_cell.h" #include "module_cell/read_stru.h" diff --git a/source/module_cell/test/unitcell_test_para.cpp b/source/module_cell/test/unitcell_test_para.cpp index 4a9319fd815..f776ba016c0 100644 --- a/source/module_cell/test/unitcell_test_para.cpp +++ b/source/module_cell/test/unitcell_test_para.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "module_cell/unitcell.h" #include "module_elecstate/read_pseudo.h" #include diff --git a/source/module_cell/test/unitcell_test_readpp.cpp b/source/module_cell/test/unitcell_test_readpp.cpp index 980da0b6a9c..1b8ce61f4cf 100644 --- a/source/module_cell/test/unitcell_test_readpp.cpp +++ b/source/module_cell/test/unitcell_test_readpp.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/global_variable.h" -#include "module_base/mathzone.h" +#include "source_base/global_variable.h" +#include "source_base/mathzone.h" #include "module_cell/check_atomic_stru.h" #include "module_cell/unitcell.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/module_cell/test/unitcell_test_setupcell.cpp b/source/module_cell/test/unitcell_test_setupcell.cpp index 383a9d0312b..6d3cd3df35e 100644 --- a/source/module_cell/test/unitcell_test_setupcell.cpp +++ b/source/module_cell/test/unitcell_test_setupcell.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/mathzone.h" -#include "module_base/global_variable.h" +#include "source_base/mathzone.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include #include diff --git a/source/module_cell/test_pw/unitcell_test_pw.cpp b/source/module_cell/test_pw/unitcell_test_pw.cpp index d0d1307e9c5..e7af4db5e3f 100644 --- a/source/module_cell/test_pw/unitcell_test_pw.cpp +++ b/source/module_cell/test_pw/unitcell_test_pw.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private #include "memory" -#include "module_base/mathzone.h" -#include "module_base/global_variable.h" +#include "source_base/mathzone.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include "module_cell/read_stru.h" #include diff --git a/source/module_cell/unitcell.cpp b/source/module_cell/unitcell.cpp index 53c686a3260..20cc905d298 100755 --- a/source/module_cell/unitcell.cpp +++ b/source/module_cell/unitcell.cpp @@ -1,17 +1,17 @@ #include #include // Peize Lin fix bug about strcmp 2016-08-02 -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "unitcell.h" #include "bcast_cell.h" #include "module_parameter/parameter.h" #include "module_cell/read_stru.h" -#include "module_base/atom_in.h" -#include "module_base/element_elec_config.h" -#include "module_base/global_file.h" -#include "module_base/parallel_common.h" +#include "source_base/atom_in.h" +#include "source_base/element_elec_config.h" +#include "source_base/global_file.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_cell/unitcell.h b/source/module_cell/unitcell.h index e7b3e3bdcfd..552b031850a 100644 --- a/source/module_cell/unitcell.h +++ b/source/module_cell/unitcell.h @@ -1,8 +1,8 @@ #ifndef UNITCELL_H #define UNITCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_elecstate/magnetism.h" #include "module_io/output.h" #include "module_symmetry/symmetry.h" diff --git a/source/module_cell/unitcell_data.h b/source/module_cell/unitcell_data.h index 09aab0a0dcd..c93c4698666 100644 --- a/source/module_cell/unitcell_data.h +++ b/source/module_cell/unitcell_data.h @@ -1,8 +1,8 @@ #ifndef UNITCELL_DATA_H #define UNITCELL_DATA_H -#include "module_base/intarray.h" -#include "module_base/matrix3.h" +#include "source_base/intarray.h" +#include "source_base/matrix3.h" /// @brief info of lattice struct Lattice { diff --git a/source/module_cell/update_cell.cpp b/source/module_cell/update_cell.cpp index ca8abbc0f1c..723f765d316 100644 --- a/source/module_cell/update_cell.cpp +++ b/source/module_cell/update_cell.cpp @@ -1,6 +1,6 @@ #include "update_cell.h" #include "bcast_cell.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace unitcell { void remake_cell(Lattice& lat) diff --git a/source/module_elecstate/cal_dm.h b/source/module_elecstate/cal_dm.h index 99815b296b6..b241791a1a2 100644 --- a/source/module_elecstate/cal_dm.h +++ b/source/module_elecstate/cal_dm.h @@ -2,9 +2,9 @@ #define CAL_DM_H #include "math_tools.h" -#include "module_base/timer.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" +#include "source_base/timer.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" namespace elecstate { diff --git a/source/module_elecstate/cal_nelec_nband.cpp b/source/module_elecstate/cal_nelec_nband.cpp index 4e70415707c..cd956ac474c 100644 --- a/source/module_elecstate/cal_nelec_nband.cpp +++ b/source/module_elecstate/cal_nelec_nband.cpp @@ -1,5 +1,5 @@ #include "cal_nelec_nband.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_parameter/parameter.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate.cpp b/source/module_elecstate/elecstate.cpp index ee4857afd85..74a9154cea9 100644 --- a/source/module_elecstate/elecstate.cpp +++ b/source/module_elecstate/elecstate.cpp @@ -1,10 +1,10 @@ #include "elecstate.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_title.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_title.h" #include "occupy.h" namespace elecstate diff --git a/source/module_elecstate/elecstate_energy.cpp b/source/module_elecstate/elecstate_energy.cpp index d7b4f7ed100..cfa3d97332a 100644 --- a/source/module_elecstate/elecstate_energy.cpp +++ b/source/module_elecstate/elecstate_energy.cpp @@ -1,6 +1,6 @@ #include "elecstate.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/elecstate_lcao.cpp b/source/module_elecstate/elecstate_lcao.cpp index efa7b1d76bd..8836775facb 100644 --- a/source/module_elecstate/elecstate_lcao.cpp +++ b/source/module_elecstate/elecstate_lcao.cpp @@ -1,7 +1,7 @@ #include "elecstate_lcao.h" #include "cal_dm.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" diff --git a/source/module_elecstate/elecstate_lcao_cal_tau.cpp b/source/module_elecstate/elecstate_lcao_cal_tau.cpp index 9f2c0bd40b1..d07aeba6785 100644 --- a/source/module_elecstate/elecstate_lcao_cal_tau.cpp +++ b/source/module_elecstate/elecstate_lcao_cal_tau.cpp @@ -1,7 +1,7 @@ #include "elecstate_lcao.h" #include "module_hamilt_lcao/module_gint/temp_gint/gint_interface.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate_print.cpp b/source/module_elecstate/elecstate_print.cpp index 0a31f58fffa..da168a73dbc 100644 --- a/source/module_elecstate/elecstate_print.cpp +++ b/source/module_elecstate/elecstate_print.cpp @@ -1,7 +1,7 @@ #include "elecstate.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_elecstate/elecstate_pw.cpp b/source/module_elecstate/elecstate_pw.cpp index ef7a168752e..86f0945e515 100644 --- a/source/module_elecstate/elecstate_pw.cpp +++ b/source/module_elecstate/elecstate_pw.cpp @@ -1,11 +1,11 @@ #include "elecstate_pw.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/math_ylmreal.h" -#include "module_base/module_device/device.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/math_ylmreal.h" +#include "source_base/module_device/device.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/elecstate_pw.h b/source/module_elecstate/elecstate_pw.h index 6007c8a4fe8..68691de07b5 100644 --- a/source/module_elecstate/elecstate_pw.h +++ b/source/module_elecstate/elecstate_pw.h @@ -1,13 +1,13 @@ #ifndef ELECSTATEPW_H #define ELECSTATEPW_H -#include +#include #include "elecstate.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_elecstate/kernels/elecstate_op.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace elecstate { diff --git a/source/module_elecstate/elecstate_pw_sdft.cpp b/source/module_elecstate/elecstate_pw_sdft.cpp index 269efc06f27..101428d2b8d 100644 --- a/source/module_elecstate/elecstate_pw_sdft.cpp +++ b/source/module_elecstate/elecstate_pw_sdft.cpp @@ -1,8 +1,8 @@ #include "./elecstate_pw_sdft.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" namespace elecstate diff --git a/source/module_elecstate/elecstate_tools.h b/source/module_elecstate/elecstate_tools.h index 884217f778e..6d144ab91bd 100644 --- a/source/module_elecstate/elecstate_tools.h +++ b/source/module_elecstate/elecstate_tools.h @@ -1,7 +1,7 @@ #ifndef ELECSTATE_TOOLS_H #define ELECSTATE_TOOLS_H #include "elecstate.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace elecstate { diff --git a/source/module_elecstate/fp_energy.cpp b/source/module_elecstate/fp_energy.cpp index 3218f3aae03..6f90fc8c31b 100644 --- a/source/module_elecstate/fp_energy.cpp +++ b/source/module_elecstate/fp_energy.cpp @@ -1,10 +1,10 @@ #include "fp_energy.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_elecstate/kernels/test/elecstate_op_test.cpp b/source/module_elecstate/kernels/test/elecstate_op_test.cpp index 973df83cea7..b7c9ee9857d 100644 --- a/source/module_elecstate/kernels/test/elecstate_op_test.cpp +++ b/source/module_elecstate/kernels/test/elecstate_op_test.cpp @@ -1,6 +1,6 @@ #include "module_elecstate/kernels/elecstate_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_elecstate/magnetism.cpp b/source/module_elecstate/magnetism.cpp index 8a0090484f2..2ed58de787e 100644 --- a/source/module_elecstate/magnetism.cpp +++ b/source/module_elecstate/magnetism.cpp @@ -1,6 +1,6 @@ #include "magnetism.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" //#include "module_elecstate/module_charge/charge.h" diff --git a/source/module_elecstate/magnetism.h b/source/module_elecstate/magnetism.h index c6bd9ed96cf..061ec415e79 100644 --- a/source/module_elecstate/magnetism.h +++ b/source/module_elecstate/magnetism.h @@ -1,9 +1,9 @@ #ifndef MAGNETISM_H #define MAGNETISM_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" class Magnetism { diff --git a/source/module_elecstate/math_tools.h b/source/module_elecstate/math_tools.h index 3798c4df0f5..70560c8ced4 100644 --- a/source/module_elecstate/math_tools.h +++ b/source/module_elecstate/math_tools.h @@ -1,9 +1,9 @@ -#include "module_base/blas_connector.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/scalapack_connector.h" #include "module_psi/psi.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #ifdef __MPI inline void psiMulPsiMpi(const psi::Psi& psi1, diff --git a/source/module_elecstate/module_charge/charge.cpp b/source/module_elecstate/module_charge/charge.cpp index 252b336af64..e808606b1b4 100644 --- a/source/module_elecstate/module_charge/charge.cpp +++ b/source/module_elecstate/module_charge/charge.cpp @@ -18,14 +18,14 @@ //---------------------------------------------------------- #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_cell/unitcell.h" #include "module_elecstate/magnetism.h" #include "module_hamilt_general/module_xc/xc_functional.h" diff --git a/source/module_elecstate/module_charge/charge.h b/source/module_elecstate/module_charge/charge.h index 1a2c874fd7c..8cad838e859 100644 --- a/source/module_elecstate/module_charge/charge.h +++ b/source/module_elecstate/module_charge/charge.h @@ -1,10 +1,10 @@ #ifndef CHARGE_H #define CHARGE_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/fp_energy.h" diff --git a/source/module_elecstate/module_charge/charge_extra.cpp b/source/module_elecstate/module_charge/charge_extra.cpp index 35b5b2a1e0d..b0e5a94ee71 100644 --- a/source/module_elecstate/module_charge/charge_extra.cpp +++ b/source/module_elecstate/module_charge/charge_extra.cpp @@ -1,9 +1,9 @@ #include "charge_extra.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_io/cube_io.h" Charge_Extra::Charge_Extra() diff --git a/source/module_elecstate/module_charge/charge_init.cpp b/source/module_elecstate/module_charge/charge_init.cpp index cb73ad5a86e..6feaa17c111 100644 --- a/source/module_elecstate/module_charge/charge_init.cpp +++ b/source/module_elecstate/module_charge/charge_init.cpp @@ -1,16 +1,16 @@ #include #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/magnetism.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_elecstate/module_charge/charge_mixing.cpp b/source/module_elecstate/module_charge/charge_mixing.cpp index e6e7d7f0ef0..40fa49e8da6 100644 --- a/source/module_elecstate/module_charge/charge_mixing.cpp +++ b/source/module_elecstate/module_charge/charge_mixing.cpp @@ -1,9 +1,9 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/module_mixing/broyden_mixing.h" -#include "module_base/module_mixing/pulay_mixing.h" -#include "module_base/timer.h" +#include "source_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/pulay_mixing.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" Charge_Mixing::Charge_Mixing() diff --git a/source/module_elecstate/module_charge/charge_mixing.h b/source/module_elecstate/module_charge/charge_mixing.h index d6fdbc2586b..b7df52a762e 100644 --- a/source/module_elecstate/module_charge/charge_mixing.h +++ b/source/module_elecstate/module_charge/charge_mixing.h @@ -2,8 +2,8 @@ #define CHARGE_MIXING_H #include "charge.h" #include "module_elecstate/module_dm/density_matrix.h" -#include "module_base/module_mixing/mixing.h" -#include "module_base/module_mixing/plain_mixing.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/module_mixing/plain_mixing.h" class Charge_Mixing { diff --git a/source/module_elecstate/module_charge/charge_mixing_dmr.cpp b/source/module_elecstate/module_charge/charge_mixing_dmr.cpp index 516e489d685..0c000bd8762 100644 --- a/source/module_elecstate/module_charge/charge_mixing_dmr.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_dmr.cpp @@ -1,7 +1,7 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Charge_Mixing::allocate_mixing_dmr(const int nnr) { diff --git a/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp b/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp index ad8ea3801b6..cc17d8c6395 100644 --- a/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp @@ -1,7 +1,7 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Charge_Mixing::Kerker_screen_recip(std::complex* drhog) diff --git a/source/module_elecstate/module_charge/charge_mixing_residual.cpp b/source/module_elecstate/module_charge/charge_mixing_residual.cpp index b195f1c7907..f2b85cbc03e 100644 --- a/source/module_elecstate/module_charge/charge_mixing_residual.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_residual.cpp @@ -1,9 +1,9 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" double Charge_Mixing::get_drho(Charge* chr, const double nelec) { diff --git a/source/module_elecstate/module_charge/charge_mixing_rho.cpp b/source/module_elecstate/module_charge/charge_mixing_rho.cpp index 7b0d110633c..9c403a6a649 100644 --- a/source/module_elecstate/module_charge/charge_mixing_rho.cpp +++ b/source/module_elecstate/module_charge/charge_mixing_rho.cpp @@ -1,6 +1,6 @@ #include "charge_mixing.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Charge_Mixing::mix_rho_recip(Charge* chr) diff --git a/source/module_elecstate/module_charge/charge_mpi.cpp b/source/module_elecstate/module_charge/charge_mpi.cpp index c94a8f5133c..bc8f8cd2dfd 100644 --- a/source/module_elecstate/module_charge/charge_mpi.cpp +++ b/source/module_elecstate/module_charge/charge_mpi.cpp @@ -1,8 +1,8 @@ #include "charge.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_elecstate/module_charge/symmetry_rhog.cpp b/source/module_elecstate/module_charge/symmetry_rhog.cpp index 0ed87bd5725..2b1e62191b6 100644 --- a/source/module_elecstate/module_charge/symmetry_rhog.cpp +++ b/source/module_elecstate/module_charge/symmetry_rhog.cpp @@ -1,6 +1,6 @@ #include "symmetry_rho.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_hamilt_general/module_xc/xc_functional.h" diff --git a/source/module_elecstate/module_dm/cal_dm_psi.cpp b/source/module_elecstate/module_dm/cal_dm_psi.cpp index 21d91e52257..47d733b1e95 100644 --- a/source/module_elecstate/module_dm/cal_dm_psi.cpp +++ b/source/module_elecstate/module_dm/cal_dm_psi.cpp @@ -1,9 +1,9 @@ #include "cal_dm_psi.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_psi/psi.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/cal_dm_psi.h b/source/module_elecstate/module_dm/cal_dm_psi.h index cdd25eb7da9..fd1b116815a 100644 --- a/source/module_elecstate/module_dm/cal_dm_psi.h +++ b/source/module_elecstate/module_dm/cal_dm_psi.h @@ -1,7 +1,7 @@ #ifndef CAL_DM_PSI_H #define CAL_DM_PSI_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "density_matrix.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/cal_edm_tddft.cpp b/source/module_elecstate/module_dm/cal_edm_tddft.cpp index f3dd47ffe50..a3111aeaad0 100644 --- a/source/module_elecstate/module_dm/cal_edm_tddft.cpp +++ b/source/module_elecstate/module_dm/cal_edm_tddft.cpp @@ -1,7 +1,7 @@ #include "cal_edm_tddft.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace elecstate { diff --git a/source/module_elecstate/module_dm/density_matrix.cpp b/source/module_elecstate/module_dm/density_matrix.cpp index 4521071d652..d76728cb22a 100644 --- a/source/module_elecstate/module_dm/density_matrix.cpp +++ b/source/module_elecstate/module_dm/density_matrix.cpp @@ -1,10 +1,10 @@ #include "density_matrix.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/klist.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/density_matrix_io.cpp b/source/module_elecstate/module_dm/density_matrix_io.cpp index ceeff57a0ee..2c2699295e9 100644 --- a/source/module_elecstate/module_dm/density_matrix_io.cpp +++ b/source/module_elecstate/module_dm/density_matrix_io.cpp @@ -1,10 +1,10 @@ #include "density_matrix.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/klist.h" namespace elecstate diff --git a/source/module_elecstate/module_dm/test/prepare_unitcell.h b/source/module_elecstate/module_dm/test/prepare_unitcell.h index f3370fd6556..e760a8da0e9 100644 --- a/source/module_elecstate/module_dm/test/prepare_unitcell.h +++ b/source/module_elecstate/module_dm/test/prepare_unitcell.h @@ -3,7 +3,7 @@ #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_elecstate/module_pot/H_Hartree_pw.cpp b/source/module_elecstate/module_pot/H_Hartree_pw.cpp index 898817f7365..cdc26e9bab8 100644 --- a/source/module_elecstate/module_pot/H_Hartree_pw.cpp +++ b/source/module_elecstate/module_pot/H_Hartree_pw.cpp @@ -1,9 +1,9 @@ #include "H_Hartree_pw.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/H_Hartree_pw.h b/source/module_elecstate/module_pot/H_Hartree_pw.h index aed9eced2bb..7f86afeca39 100644 --- a/source/module_elecstate/module_pot/H_Hartree_pw.h +++ b/source/module_elecstate/module_pot/H_Hartree_pw.h @@ -1,9 +1,9 @@ #ifndef HHARTREEPW_H #define HHARTREEPW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" diff --git a/source/module_elecstate/module_pot/H_TDDFT_pw.cpp b/source/module_elecstate/module_pot/H_TDDFT_pw.cpp index c75511e190f..71b85501819 100644 --- a/source/module_elecstate/module_pot/H_TDDFT_pw.cpp +++ b/source/module_elecstate/module_pot/H_TDDFT_pw.cpp @@ -1,8 +1,8 @@ #include "H_TDDFT_pw.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_tddft/evolve_elec.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/input_conv.h" diff --git a/source/module_elecstate/module_pot/efield.cpp b/source/module_elecstate/module_pot/efield.cpp index ed602d54054..6b79650aa34 100644 --- a/source/module_elecstate/module_pot/efield.cpp +++ b/source/module_elecstate/module_pot/efield.cpp @@ -2,10 +2,10 @@ #include "module_parameter/parameter.h" #include "gatefield.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/gatefield.cpp b/source/module_elecstate/module_pot/gatefield.cpp index 3a59f54632c..8fe2ef11944 100644 --- a/source/module_elecstate/module_pot/gatefield.cpp +++ b/source/module_elecstate/module_pot/gatefield.cpp @@ -2,7 +2,7 @@ #include "module_parameter/parameter.h" #include "efield.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace elecstate { diff --git a/source/module_elecstate/module_pot/pot_base.h b/source/module_elecstate/module_pot/pot_base.h index 2f917936125..6dae8db8368 100644 --- a/source/module_elecstate/module_pot/pot_base.h +++ b/source/module_elecstate/module_pot/pot_base.h @@ -1,8 +1,8 @@ #ifndef POTBASE_H #define POTBASE_H -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_elecstate/module_pot/pot_local.cpp b/source/module_elecstate/module_pot/pot_local.cpp index 101f527efce..e10badda7d6 100644 --- a/source/module_elecstate/module_pot/pot_local.cpp +++ b/source/module_elecstate/module_pot/pot_local.cpp @@ -1,7 +1,7 @@ #include "pot_local.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_elecstate/module_pot/pot_local.h b/source/module_elecstate/module_pot/pot_local.h index df31ac471b4..923e962a112 100644 --- a/source/module_elecstate/module_pot/pot_local.h +++ b/source/module_elecstate/module_pot/pot_local.h @@ -1,7 +1,7 @@ #ifndef POTLOCAL_H #define POTLOCAL_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "pot_base.h" namespace elecstate diff --git a/source/module_elecstate/module_pot/pot_local_paw.cpp b/source/module_elecstate/module_pot/pot_local_paw.cpp index 9b48d500989..03dab7d59ea 100644 --- a/source/module_elecstate/module_pot/pot_local_paw.cpp +++ b/source/module_elecstate/module_pot/pot_local_paw.cpp @@ -1,7 +1,7 @@ #include "pot_local_paw.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_elecstate/module_pot/pot_local_paw.h b/source/module_elecstate/module_pot/pot_local_paw.h index 8c37ef93a6c..7399827c33a 100644 --- a/source/module_elecstate/module_pot/pot_local_paw.h +++ b/source/module_elecstate/module_pot/pot_local_paw.h @@ -1,7 +1,7 @@ #ifndef POTLOCALPAW_H #define POTLOCALPAW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "pot_base.h" namespace elecstate diff --git a/source/module_elecstate/module_pot/pot_xc.cpp b/source/module_elecstate/module_pot/pot_xc.cpp index 907363fb17a..2091d90c466 100644 --- a/source/module_elecstate/module_pot/pot_xc.cpp +++ b/source/module_elecstate/module_pot/pot_xc.cpp @@ -1,6 +1,6 @@ #include "pot_xc.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef USE_LIBXC diff --git a/source/module_elecstate/module_pot/potential_new.cpp b/source/module_elecstate/module_pot/potential_new.cpp index d12bb72fa09..d4aff155a6b 100644 --- a/source/module_elecstate/module_pot/potential_new.cpp +++ b/source/module_elecstate/module_pot/potential_new.cpp @@ -1,11 +1,11 @@ #include "potential_new.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/module_pot/potential_new.h b/source/module_elecstate/module_pot/potential_new.h index 103a46e0647..b4ccdbf4db4 100644 --- a/source/module_elecstate/module_pot/potential_new.h +++ b/source/module_elecstate/module_pot/potential_new.h @@ -1,7 +1,7 @@ #ifndef POTENTIALNEW_H #define POTENTIALNEW_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" #include "module_hamilt_general/module_surchem/surchem.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_elecstate/module_pot/potential_types.cpp b/source/module_elecstate/module_pot/potential_types.cpp index c3dd585096a..a0999b20bcb 100644 --- a/source/module_elecstate/module_pot/potential_types.cpp +++ b/source/module_elecstate/module_pot/potential_types.cpp @@ -2,12 +2,12 @@ #include "efield.h" #include "module_parameter/parameter.h" #include "gatefield.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "pot_local.h" #include "pot_surchem.hpp" #include "pot_xc.h" diff --git a/source/module_elecstate/occupy.cpp b/source/module_elecstate/occupy.cpp index 580f90de816..8548fa44e39 100644 --- a/source/module_elecstate/occupy.cpp +++ b/source/module_elecstate/occupy.cpp @@ -1,8 +1,8 @@ #include "occupy.h" -#include "module_base/constants.h" -#include "module_base/mymath.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/mymath.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" Occupy::Occupy() diff --git a/source/module_elecstate/occupy.h b/source/module_elecstate/occupy.h index 8f7b4a34776..627103fcab6 100644 --- a/source/module_elecstate/occupy.h +++ b/source/module_elecstate/occupy.h @@ -1,10 +1,10 @@ #ifndef OCCUPY_H #define OCCUPY_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" class Occupy { diff --git a/source/module_elecstate/read_orb.cpp b/source/module_elecstate/read_orb.cpp index 56acf1d6c94..a40d66640a8 100644 --- a/source/module_elecstate/read_orb.cpp +++ b/source/module_elecstate/read_orb.cpp @@ -1,5 +1,5 @@ #include "read_orb.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" namespace elecstate { void read_orb_file(int it, std::string &orb_file, std::ofstream &ofs_running, Atom* atom) diff --git a/source/module_elecstate/read_pseudo.cpp b/source/module_elecstate/read_pseudo.cpp index d6b382ea6c8..6a761a6078e 100644 --- a/source/module_elecstate/read_pseudo.cpp +++ b/source/module_elecstate/read_pseudo.cpp @@ -1,10 +1,10 @@ #include "read_pseudo.h" #include "module_parameter/parameter.h" -#include "module_base/global_file.h" +#include "source_base/global_file.h" #include "module_cell/read_pp.h" #include "module_cell/bcast_cell.h" -#include "module_base/element_elec_config.h" -#include "module_base/parallel_common.h" +#include "source_base/element_elec_config.h" +#include "source_base/parallel_common.h" #include // Peize Lin fix bug about strcmp 2016-08-02 diff --git a/source/module_elecstate/test/CMakeLists.txt b/source/module_elecstate/test/CMakeLists.txt index 9a8ba6d88bf..090bac0cd85 100644 --- a/source/module_elecstate/test/CMakeLists.txt +++ b/source/module_elecstate/test/CMakeLists.txt @@ -57,7 +57,7 @@ AddTest( ../occupy.cpp ../../module_psi/psi.cpp # ../../module_psi/kernels/psi_memory_op.cpp - ../../module_base/module_device/memory_op.cpp + ../../source_base/module_device/memory_op.cpp ) AddTest( diff --git a/source/module_elecstate/test/charge_mixing_test.cpp b/source/module_elecstate/test/charge_mixing_test.cpp index 2580730cf8b..0f8c5195d72 100644 --- a/source/module_elecstate/test/charge_mixing_test.cpp +++ b/source/module_elecstate/test/charge_mixing_test.cpp @@ -2,7 +2,7 @@ #include "gtest/gtest.h" #define private public #include "../module_charge/charge_mixing.h" -#include "module_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/broyden_mixing.h" #include "module_basis/module_pw/pw_basis.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_elecstate/test/prepare_unitcell.h b/source/module_elecstate/test/prepare_unitcell.h index 37f761c7ebd..49635e89f32 100644 --- a/source/module_elecstate/test/prepare_unitcell.h +++ b/source/module_elecstate/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_elecstate/test_mpi/charge_mpi_test.cpp b/source/module_elecstate/test_mpi/charge_mpi_test.cpp index 81d0fff7514..6df64556ce2 100644 --- a/source/module_elecstate/test_mpi/charge_mpi_test.cpp +++ b/source/module_elecstate/test_mpi/charge_mpi_test.cpp @@ -1,8 +1,8 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" #define private public -#include "module_base/matrix3.h" -#include "module_base/parallel_global.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_global.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp b/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp index 2c8cc60f9d1..0dba6399590 100644 --- a/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp +++ b/source/module_hamilt_general/module_ewald/H_Ewald_pw.cpp @@ -1,11 +1,11 @@ #include "H_Ewald_pw.h" #include "module_parameter/parameter.h" -#include "module_base/mymath.h" // use heapsort +#include "source_base/mymath.h" // use heapsort #include "module_parameter/parameter.h" #include "dnrm2.h" -#include "module_base/parallel_reduce.h" -#include "module_base/constants.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" double H_Ewald_pw::alpha=0.0; diff --git a/source/module_hamilt_general/module_ewald/H_Ewald_pw.h b/source/module_hamilt_general/module_ewald/H_Ewald_pw.h index 29c738819a7..dc9ed967d9a 100644 --- a/source/module_hamilt_general/module_ewald/H_Ewald_pw.h +++ b/source/module_hamilt_general/module_ewald/H_Ewald_pw.h @@ -1,8 +1,8 @@ #ifndef H_EWALD_PW_H #define H_EWALD_PW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/unitcell.h" #include "module_basis/module_pw/pw_basis.h" #include "module_hamilt_pw/hamilt_pwdft/forces.h" diff --git a/source/module_hamilt_general/module_surchem/H_correction_pw.cpp b/source/module_hamilt_general/module_surchem/H_correction_pw.cpp index b9f6a39548e..63d3d80a09f 100644 --- a/source/module_hamilt_general/module_surchem/H_correction_pw.cpp +++ b/source/module_hamilt_general/module_surchem/H_correction_pw.cpp @@ -1,8 +1,8 @@ #include -#include "module_base/constants.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/cal_vcav.cpp b/source/module_hamilt_general/module_surchem/cal_vcav.cpp index 86d6923524e..d80145931df 100644 --- a/source/module_hamilt_general/module_surchem/cal_vcav.cpp +++ b/source/module_hamilt_general/module_surchem/cal_vcav.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/cal_vel.cpp b/source/module_hamilt_general/module_surchem/cal_vel.cpp index ac0771cbdee..23fadef7a9c 100644 --- a/source/module_hamilt_general/module_surchem/cal_vel.cpp +++ b/source/module_hamilt_general/module_surchem/cal_vel.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "surchem.h" diff --git a/source/module_hamilt_general/module_surchem/sol_force.cpp b/source/module_hamilt_general/module_surchem/sol_force.cpp index 00c4da4404e..aeb096b4eeb 100644 --- a/source/module_hamilt_general/module_surchem/sol_force.cpp +++ b/source/module_hamilt_general/module_surchem/sol_force.cpp @@ -1,5 +1,5 @@ #include "surchem.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" void surchem::force_cor_one(const UnitCell& cell, diff --git a/source/module_hamilt_general/module_surchem/surchem.h b/source/module_hamilt_general/module_surchem/surchem.h index cb69735cd1d..f44e6b6e1fe 100644 --- a/source/module_hamilt_general/module_surchem/surchem.h +++ b/source/module_hamilt_general/module_surchem/surchem.h @@ -1,11 +1,11 @@ #ifndef SURCHEM_H #define SURCHEM_H -#include "module_base/atom_in.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/parallel_reduce.h" +#include "source_base/atom_in.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/parallel_reduce.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp index dc0b404e339..72d3da12c4e 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_epsilon_test.cpp @@ -1,13 +1,13 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "../../../module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "../surchem.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_pw/pw_basis.h" #include "gmock/gmock.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp index 54e0de6a09b..c01372e6e0b 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_pseudo_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../surchem.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp index 10bd4dcf583..09ca4647fd3 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_totn_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../surchem.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp index 3cf4fcec61a..65fe839aa28 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_vcav_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #include "mpi.h" #endif #include "../../module_xc/xc_functional.h" diff --git a/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp b/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp index 525a11554ed..c74873ae9dd 100644 --- a/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp +++ b/source/module_hamilt_general/module_surchem/test/cal_vel_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "../../../module_base/parallel_global.h" +#include "../../../source_base/parallel_global.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_hamilt_general/module_vdw/test/vdw_test.cpp b/source/module_hamilt_general/module_vdw/test/vdw_test.cpp index 9565d3f89fc..4d9ff866a45 100644 --- a/source/module_hamilt_general/module_vdw/test/vdw_test.cpp +++ b/source/module_hamilt_general/module_vdw/test/vdw_test.cpp @@ -1,7 +1,7 @@ #include "module_cell/unitcell.h" #include "module_cell/setup_nonlocal.h" -#include "module_base/mathzone.h" -#include "module_base/vector3.h" +#include "source_base/mathzone.h" +#include "source_base/vector3.h" #include"gtest/gtest.h" #include"gmock/gmock.h" #include "mpi.h" diff --git a/source/module_hamilt_general/module_vdw/vdw.cpp b/source/module_hamilt_general/module_vdw/vdw.cpp index 791200da72a..b9c61858651 100644 --- a/source/module_hamilt_general/module_vdw/vdw.cpp +++ b/source/module_hamilt_general/module_vdw/vdw.cpp @@ -4,7 +4,7 @@ #include "vdw.h" #include "vdwd2.h" #include "vdwd3.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" std::string parse_xcname(const std::string &xc_input, const std::vector &xc_psp) diff --git a/source/module_hamilt_general/module_vdw/vdw_parameters.h b/source/module_hamilt_general/module_vdw/vdw_parameters.h index 68c3a4abe52..630ff3d9e7f 100644 --- a/source/module_hamilt_general/module_vdw/vdw_parameters.h +++ b/source/module_hamilt_general/module_vdw/vdw_parameters.h @@ -1,7 +1,7 @@ #ifndef VDW_PARAMETERS_H #define VDW_PARAMETERS_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include diff --git a/source/module_hamilt_general/module_vdw/vdwd2.cpp b/source/module_hamilt_general/module_vdw/vdwd2.cpp index 04396835809..6a4a387982a 100644 --- a/source/module_hamilt_general/module_vdw/vdwd2.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd2.cpp @@ -5,7 +5,7 @@ //========================================================== #include "vdwd2.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3.cpp b/source/module_hamilt_general/module_vdw/vdwd3.cpp index b5b0798c63c..95aeac82268 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3.cpp @@ -6,10 +6,10 @@ #include "vdwd3.h" -#include "module_base/constants.h" -#include "module_base/element_name.h" -#include "module_base/global_function.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/element_name.h" +#include "source_base/global_function.h" +#include "source_base/timer.h" namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp index bec17fbd159..1068aeebabc 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcname.cpp @@ -44,10 +44,10 @@ #include #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_hamilt_general/module_vdw/vdwd3_parameters.h" const std::map xcname_libxc_xc_ = { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp index 24fb9d9231b..a1ea3546582 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_autoset_xcparam.cpp @@ -64,8 +64,8 @@ #include #include #include -#include "module_base/formatter.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/tool_quit.h" #include "module_hamilt_general/module_vdw/vdwd3_parameters.h" // DFT-D3(BJ) diff --git a/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp b/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp index fc2736529b8..8bb02c367af 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_parameters.cpp @@ -5,7 +5,7 @@ //========================================================== #include "vdwd3_parameters.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include namespace vdw { diff --git a/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp b/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp index 30de4f53901..bd06018e6ec 100644 --- a/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp +++ b/source/module_hamilt_general/module_vdw/vdwd3_parameters_tab.cpp @@ -4,7 +4,7 @@ //========================================================== #include "vdwd3_parameters.h" -#include "module_base/constants.h" +#include "source_base/constants.h" namespace vdw { diff --git a/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu b/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu index 60b1da3e885..50ceb430b0b 100644 --- a/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu +++ b/source/module_hamilt_general/module_xc/kernels/cuda/xc_functional_op.cu @@ -1,5 +1,5 @@ #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu b/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu index 937a277d74b..fb381e8a48b 100644 --- a/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu +++ b/source/module_hamilt_general/module_xc/kernels/rocm/xc_functional_op.hip.cu @@ -1,5 +1,5 @@ #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h b/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h index 1c839471827..2703300cb4a 100644 --- a/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h +++ b/source/module_hamilt_general/module_xc/kernels/xc_functional_op.h @@ -3,7 +3,7 @@ #include #include -#include +#include namespace hamilt { diff --git a/source/module_hamilt_general/module_xc/test/CMakeLists.txt b/source/module_hamilt_general/module_xc/test/CMakeLists.txt index 9b0bc440b7a..0219e47b3b5 100644 --- a/source/module_hamilt_general/module_xc/test/CMakeLists.txt +++ b/source/module_hamilt_general/module_xc/test/CMakeLists.txt @@ -36,11 +36,11 @@ AddTest( ../xc_functional_libxc_wrapper_tauxc.cpp ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp - ../../../module_base/matrix.cpp - ../../../module_base/memory.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp ../../../module_basis/module_pw/module_fft/fft_bundle.cpp ../../../module_basis/module_pw/module_fft/fft_cpu.cpp ${FFT_SRC} @@ -73,12 +73,12 @@ AddTest( ../xc_functional_vxc.cpp ../xc_functional_libxc_vxc.cpp ../xc_functional_libxc_tools.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/matrix.cpp - ../../../module_base/memory.cpp - ../../../module_base/timer.cpp - ../../../module_base/libm/branred.cpp - ../../../module_base/libm/sincos.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/matrix.cpp + ../../../source_base/memory.cpp + ../../../source_base/timer.cpp + ../../../source_base/libm/branred.cpp + ../../../source_base/libm/sincos.cpp ../../../module_basis/module_pw/module_fft/fft_bundle.cpp ../../../module_basis/module_pw/module_fft/fft_cpu.cpp ${FFT_SRC} diff --git a/source/module_hamilt_general/module_xc/test/test_xc3.cpp b/source/module_hamilt_general/module_xc/test/test_xc3.cpp index 13255831e1c..1e7657ccddc 100644 --- a/source/module_hamilt_general/module_xc/test/test_xc3.cpp +++ b/source/module_hamilt_general/module_xc/test/test_xc3.cpp @@ -6,7 +6,7 @@ #include "../xc_functional.h" #include "../exx_info.h" #include "xc3_mock.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" /************************************************ * unit test of functionals diff --git a/source/module_hamilt_general/module_xc/test/test_xc5.cpp b/source/module_hamilt_general/module_xc/test/test_xc5.cpp index 67e81b42084..fc5a46ace85 100644 --- a/source/module_hamilt_general/module_xc/test/test_xc5.cpp +++ b/source/module_hamilt_general/module_xc/test/test_xc5.cpp @@ -7,8 +7,8 @@ #include "xctest.h" #include "../exx_info.h" #include "xc3_mock.h" -#include "module_base/matrix.h" -#include "../../../module_base/parallel_reduce.h" +#include "source_base/matrix.h" +#include "../../../source_base/parallel_reduce.h" /************************************************ * unit test of functionals diff --git a/source/module_hamilt_general/module_xc/xc_functional.cpp b/source/module_hamilt_general/module_xc/xc_functional.cpp index 70e85a5c30a..45bbb6d73cf 100644 --- a/source/module_hamilt_general/module_xc/xc_functional.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional.cpp @@ -1,7 +1,7 @@ #include "xc_functional.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #ifdef USE_LIBXC #include "xc_functional_libxc.h" diff --git a/source/module_hamilt_general/module_xc/xc_functional.h b/source/module_hamilt_general/module_xc/xc_functional.h index c0fbc917444..9a3e73eb253 100644 --- a/source/module_hamilt_general/module_xc/xc_functional.h +++ b/source/module_hamilt_general/module_xc/xc_functional.h @@ -10,11 +10,11 @@ #else #include "xc_funcs.h" #endif // ifdef USE_LIBXC -#include "module_base/macros.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" -#include "module_base/matrix.h" +#include "source_base/macros.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" +#include "source_base/matrix.h" #include "exx_info.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp b/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp index 42501465108..94ca64644a6 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_gradcorr.cpp @@ -9,7 +9,7 @@ // and gives the spin up and spin down components of the charge. #include "xc_functional.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp index f3ea0fbbd05..24154c75b4b 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc.cpp @@ -2,8 +2,8 @@ #include "xc_functional_libxc.h" #include "module_parameter/parameter.h" -#include "module_base/tool_quit.h" -#include "module_base/formatter.h" +#include "source_base/tool_quit.h" +#include "source_base/formatter.h" #ifdef __EXX #include "module_hamilt_pw/hamilt_pwdft/global.h" // just for GlobalC::exx_info diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc.h b/source/module_hamilt_general/module_xc/xc_functional_libxc.h index 67953c0c578..948db289db0 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc.h +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc.h @@ -3,8 +3,8 @@ #ifdef USE_LIBXC -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp index 20836fd8b19..f5deef72e0c 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_libxc_vxc.cpp @@ -3,11 +3,11 @@ #include "xc_functional.h" #include "xc_functional_libxc.h" #include "module_elecstate/module_charge/charge.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include diff --git a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp index 7a2adef8e34..a68a72d4c1b 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_vxc.cpp @@ -5,8 +5,8 @@ // 3. v_xc_meta : which takes rho and tau as input, and v_xc as output #include "xc_functional.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef USE_LIBXC diff --git a/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp b/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp index a162c5f06f5..b126a9a4c9e 100644 --- a/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp +++ b/source/module_hamilt_general/module_xc/xc_functional_wrapper_gcxc.cpp @@ -9,7 +9,7 @@ #include "xc_functional.h" #include #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #ifdef USE_LIBXC #include "xc_functional_libxc.h" diff --git a/source/module_hamilt_general/operator.cpp b/source/module_hamilt_general/operator.cpp index 6682777322a..0c6ced1f55b 100644 --- a/source/module_hamilt_general/operator.cpp +++ b/source/module_hamilt_general/operator.cpp @@ -1,6 +1,6 @@ #include "operator.h" -#include "module_base/timer.h" +#include "source_base/timer.h" using namespace hamilt; diff --git a/source/module_hamilt_general/operator.h b/source/module_hamilt_general/operator.h index 87567f9f362..9136dfa0eef 100644 --- a/source/module_hamilt_general/operator.h +++ b/source/module_hamilt_general/operator.h @@ -1,8 +1,8 @@ #ifndef OPERATOR_H #define OPERATOR_H -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h index cb28b3cb985..3b53073dd3f 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE.h @@ -1,9 +1,9 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_FORCE_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_FORCE_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_elecstate/elecstate.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp index 30abb408237..fb3c97823de 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp @@ -5,7 +5,7 @@ #include "module_io/output_log.h" #include "module_parameter/parameter.h" // new -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" // Taoni add 2025-02-20 @@ -997,7 +997,7 @@ void Force_Stress_LCAO::calStressPwPart(UnitCell& ucell, return; } -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" // do symmetry for total force template void Force_Stress_LCAO::forceSymmetry(const UnitCell& ucell, ModuleBase::matrix& fcs, ModuleSymmetry::Symmetry* symm) diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h index ebd725f1a6e..dba1145092b 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.h @@ -2,9 +2,9 @@ #define FORCE_STRESS_LCAO_H #include "FORCE.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_hamilt_pw/hamilt_pwdft/forces.h" #include "module_hamilt_pw/hamilt_pwdft/stress_func.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp index 72fe2feba95..7fa5841ea57 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp @@ -1,7 +1,7 @@ #include "FORCE.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp index 8a5545e637a..a8a571502e2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp @@ -1,8 +1,8 @@ #include "FORCE.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/cal_dm.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp index 908b04c80f0..5a306918ea5 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp @@ -1,7 +1,7 @@ #ifndef LCAO_HS_ARRAYS_H #define LCAO_HS_ARRAYS_H -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp index 49f5e2bb9b7..ebd3dba3572 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_allocate.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h index 80b566356c1..333280ff817 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h @@ -1,9 +1,9 @@ #ifndef LCAO_DOMAIN_H #define LCAO_DOMAIN_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp index 10f508c5782..d79f6216777 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_hamilt.hpp @@ -3,9 +3,9 @@ #ifndef LCAO_HAMILT_HPP #define LCAO_HAMILT_HPP -#include "module_base/abfs-vector3_order.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_exx.h" #include "module_ri/RI_2D_Comm.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp index be02ede822b..665af92afcf 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nl_mu.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp index 718d5046150..dbe172261d5 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_st.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp index 039efae65d2..03d7edd99a4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/LCAO_set_zero.cpp @@ -1,8 +1,8 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" namespace LCAO_domain { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp index 7ad7ad7dfa3..394384a3b4c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.cpp @@ -6,11 +6,11 @@ #include "center2_orb-orb11.h" #include "center2_orb.h" -#include "module_base/constants.h" -#include "module_base/math_polyint.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/constants.h" +#include "source_base/math_polyint.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h index 8cd2eaa6066..40b7716b688 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h @@ -7,8 +7,8 @@ #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_HAMILT_LCAODFT_CENTER2_ORB_ORB11_H #include "center2_orb.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp index ae0fde5fd6f..70d85ebebb8 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.cpp @@ -6,8 +6,8 @@ #include "center2_orb-orb21.h" -#include "module_base/constants.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/ylm.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h index 0f90bc78471..250c555a46d 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h @@ -8,7 +8,7 @@ #include "center2_orb-orb11.h" #include "center2_orb.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h index 0b44bcbc509..80e45314207 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h @@ -8,7 +8,7 @@ #include "center2_orb-orb21.h" #include "center2_orb.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp index 67663490272..a2abeaf8bd7 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.cpp @@ -1,12 +1,12 @@ #include "center2_orb.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone_add1.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone_add1.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" int Center2_Orb::get_rmesh(const double& R1, const double& R2, const double dr) { @@ -273,7 +273,7 @@ void Center2_Orb::cal_ST_Phi12_R(const int& job, ModuleBase::timer::tick("Center2_Orb", "cal_ST_Phi12_R"); } -#include "module_base/constants.h" +#include "source_base/constants.h" // Peize Lin add 2017-10-27 void Center2_Orb::cal_ST_Phi12_R(const int& job, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h index f0b49b91287..adbb9de3de4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/center2_orb.h @@ -6,7 +6,7 @@ #ifndef CENTER2_ORB_H #define CENTER2_ORB_H -#include "module_base/sph_bessel_recursive.h" +#include "source_base/sph_bessel_recursive.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp index 49074830a8a..3e5ff0b8bb2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp @@ -1,6 +1,6 @@ #include "FORCE.h" #include "module_elecstate/module_dm/cal_dm_psi.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" template<> elecstate::DensityMatrix Force_LCAO::cal_edm(const elecstate::ElecState* pelec, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp index d14e3ef8a9b..90667a738c2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/grid_init.cpp @@ -1,9 +1,9 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace LCAO_domain { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp index 953f35579c8..b01bcd1ca26 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp @@ -1,8 +1,8 @@ #include "hamilt_lcao.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp index 262832d50b6..b5b281f6ec2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp @@ -1,7 +1,7 @@ #include "deepks_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp index c6d1d343f81..2ce46854a4c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "dftu_lcao.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp index 3c4a430c6d0..e5c07fae6b4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp @@ -1,7 +1,7 @@ #include "dftu_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" @@ -9,7 +9,7 @@ #ifdef _OPENMP #include #endif -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" template hamilt::DFTU>::DFTU(HS_Matrix_K* hsk_in, diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp index 0646a0b6171..ff14029e259 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "dspin_lcao.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp index e2f8b652093..2515fe4117f 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.cpp @@ -1,10 +1,10 @@ #include "dspin_lcao.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/memory.h" -#include "module_base/tool_title.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/memory.h" +#include "source_base/tool_title.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" template diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp index aca9776c37e..85e985bbe0e 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.cpp @@ -1,7 +1,7 @@ #include "ekinetic_new.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp index de325a998fb..c170e2f6f44 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.cpp @@ -1,6 +1,6 @@ #include "meta_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace hamilt diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h index 9ab76b43c9f..3d05a853964 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/meta_lcao.h @@ -1,6 +1,6 @@ #ifndef METALCAO_H #define METALCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" #include "operator_lcao.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp index d6999b7ae95..284842ae4d7 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_force_stress.hpp @@ -1,7 +1,7 @@ #pragma once #include "nonlocal_new.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp index b8afc979874..c25e70bedbd 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.cpp @@ -1,7 +1,7 @@ #include "nonlocal_new.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp index 924dcf17643..d61bc700f0e 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.cpp @@ -1,6 +1,6 @@ #include "op_dftu_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h index de40bce4b3c..e15f4ae9dd3 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h @@ -1,6 +1,6 @@ #ifndef OPDFTULCAO_H #define OPDFTULCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "operator_lcao.h" namespace hamilt diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp index 4e7b2b553fa..aab8a9b8221 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.cpp @@ -1,6 +1,6 @@ #ifdef __EXX #include "op_exx_lcao.h" -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp index b108dfcbb67..cb7b1d01691 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.cpp @@ -1,7 +1,7 @@ #include "operator_lcao.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "source_hsolver/hsolver_lcao.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h index f9ad63c9422..8798712ad8a 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h @@ -1,6 +1,6 @@ #ifndef OPERATORLCAO_H #define OPERATORLCAO_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_hamilt_general/matrixblock.h" #include "module_hamilt_general/operator.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp index b7654aac653..b8663ef9491 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/overlap_new.cpp @@ -1,8 +1,8 @@ #include "overlap_new.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp index 38246abadb8..48f0a4ce944 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.cpp @@ -1,10 +1,10 @@ #include "td_ekinetic_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h index 7f5881ac1fc..b1aaa1b8c72 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_ekinetic_lcao.h @@ -1,6 +1,6 @@ #ifndef TDEKINETIC_H #define TDEKINETIC_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/klist.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp index d833c5c3586..37201975667 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/td_nonlocal_lcao.cpp @@ -1,8 +1,8 @@ #include "td_nonlocal_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp index 41fb87f222b..be58d8e5fa2 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp @@ -1,7 +1,7 @@ #include "veff_lcao.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/temp_gint/gint_interface.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h index 23b1ec5c57a..0a4d163b785 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h @@ -1,6 +1,6 @@ #ifndef VEFFLCAO_H #define VEFFLCAO_H -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_elecstate/module_pot/potential_new.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp index e0eedffaadc..1aec69f99e4 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_center2_template.hpp @@ -1,6 +1,6 @@ #pragma once #include "pulay_force_stress.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" namespace PulayForceStress { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp index bd0a9bcfb77..30d03266e2c 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/record_adj.cpp @@ -1,6 +1,6 @@ #include "record_adj.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp index 4515ea185c0..faf554127cb 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/spar_u.cpp @@ -1,8 +1,8 @@ #include "spar_u.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_dftu/dftu.h" void sparse_format::cal_HR_dftu( diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h b/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h index 4ae6ed31ee1..305870e3d74 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/stress_tools.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/matrix.h" +#include "source_base/matrix.h" // this namespace used to store global function for some stress operation namespace StressTools { diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp index c35cdce462b..566ec2f26d1 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp +++ b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.cpp @@ -2,10 +2,10 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" #include // Peize Lin fix bug about strcmp 2016-08-02 -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" void Wavefunc_in_pw::make_table_q( diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h index 47cd5f9cff0..5522551c685 100644 --- a/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h +++ b/source/module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h @@ -1,11 +1,11 @@ #ifndef WAVEFUNC_IN_PW_H #define WAVEFUNC_IN_PW_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h index 9e7aec13017..6d628e1f82f 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks.h @@ -16,10 +16,10 @@ #include "deepks_vdelta.h" #include "deepks_vdpre.h" #include "deepks_vdrpre.h" -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp index bb916434d96..8b953c632af 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.cpp @@ -2,8 +2,8 @@ #include "LCAO_deepks_interface.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/global_variable.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/tool_title.h" #include "module_elecstate/cal_dm.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "module_hamilt_lcao/module_hcontainer/output_hcontainer.h" diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h index a5a87f2089b..dc90c477649 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_interface.h @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "LCAO_deepks.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp index 6f6c28aa43e..7dd734a2374 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.cpp @@ -3,7 +3,7 @@ #ifdef __MLALGO #include "LCAO_deepks_io.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "npy.hpp" #include diff --git a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h index e8ab04adc4c..19a686fae43 100644 --- a/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h +++ b/source/module_hamilt_lcao/module_deepks/LCAO_deepks_io.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/tool_title.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/tool_title.h" #include #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp b/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp index 48989c350e5..a2195e4c21b 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_basic.cpp @@ -5,8 +5,8 @@ #ifdef __MLALGO #include "deepks_basic.h" -#include "module_base/atom_in.h" -#include "module_base/timer.h" +#include "source_base/atom_in.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" // d(Descriptor) / d(projected density matrix) diff --git a/source/module_hamilt_lcao/module_deepks/deepks_basic.h b/source/module_hamilt_lcao/module_deepks/deepks_basic.h index 5b0deb521d2..e0543908500 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_basic.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_basic.h @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "LCAO_deepks_io.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_title.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_title.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp index 02dbcdd5b3d..ddfd91ae3d1 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.cpp @@ -8,10 +8,10 @@ #include "deepks_descriptor.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h index 67b6b05e20e..9316ddd6754 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_descriptor.h @@ -3,8 +3,8 @@ #ifdef __MLALGO -#include "module_base/intarray.h" -#include "module_base/timer.h" +#include "source_base/intarray.h" +#include "source_base/timer.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp index 8c3e5e532cd..8c9e9d2e48a 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp @@ -4,10 +4,10 @@ #include "deepks_force.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" template diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.h b/source/module_hamilt_lcao/module_deepks/deepks_force.h index d0a24334dbe..92c73091b9b 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_force.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_force.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp index ea08e66c979..9bb1a3e12e4 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_fpre.cpp @@ -3,11 +3,11 @@ #include "deepks_fpre.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_fpre.h b/source/module_hamilt_lcao/module_deepks/deepks_fpre.h index a2c324047a2..9d1baa38dc7 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_fpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_fpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_iterate.h b/source/module_hamilt_lcao/module_deepks/deepks_iterate.h index d41aa0b0b6c..d6e7b818192 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_iterate.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_iterate.h @@ -5,11 +5,11 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_read.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp b/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp index 8e3cf7f15f3..7097a3e2429 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp @@ -3,8 +3,8 @@ #ifdef __MLALGO #include "deepks_orbital.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" template void DeePKS_domain::cal_o_delta(const std::vector& dm_hl, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbital.h b/source/module_hamilt_lcao/module_deepks/deepks_orbital.h index 5270d484895..6fb0d22fff4 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbital.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbital.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp index 0042c77b898..6957a86534e 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.cpp @@ -7,10 +7,10 @@ #include "deepks_orbpre.h" #include "LCAO_deepks_io.h" // mohan add 2024-07-22 -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h index 6461a1723bc..af48cf63c74 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_orbpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp b/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp index 13befa807f5..57b7791e0d1 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp @@ -17,12 +17,12 @@ #include "deepks_iterate.h" #include "deepks_pdm.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #endif void DeePKS_domain::read_pdm(bool read_pdm_file, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_pdm.h b/source/module_hamilt_lcao/module_deepks/deepks_pdm.h index 8aec2a3bab5..23f511aed7f 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_pdm.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_pdm.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_elecstate/module_dm/density_matrix.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp index 316bc672914..88e6a375659 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp @@ -11,8 +11,8 @@ #include "deepks_phialpha.h" #include "deepks_iterate.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_parameter/parameter.h" void DeePKS_domain::allocate_phialpha(const bool& cal_deri, diff --git a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h index c466fdba279..37b7a7bdf64 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_phialpha.h @@ -3,9 +3,9 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp index 1865bca2d87..35c393f2f14 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_spre.cpp @@ -3,11 +3,11 @@ #include "deepks_spre.h" #include "deepks_iterate.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_spre.h b/source/module_hamilt_lcao/module_deepks/deepks_spre.h index a95a041aca7..699a3dc8e8a 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_spre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_spre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp index bdfb1454f87..4a2f156edac 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.cpp @@ -11,10 +11,10 @@ #ifdef __MLALGO #include "deepks_vdelta.h" -#include "module_base/global_function.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" // calculating sum of correction band energies diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h index 8cfd71f444b..a21d697df34 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdelta.h @@ -2,8 +2,8 @@ #define DEEPKS_VDELTA_H #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" // break the circular dependency of HamiltLCAO diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp index a5942885ac5..bb355837b8d 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.cpp @@ -10,10 +10,10 @@ #include "LCAO_deepks_io.h" // mohan add 2024-07-22 #include "deepks_iterate.h" -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h index d9800c4eece..6d1e7418037 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp index 3dc97b72c26..5e3b7e881aa 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.cpp @@ -6,10 +6,10 @@ #include "LCAO_deepks_io.h" // mohan add 2024-07-22 #include "deepks_iterate.h" -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h index 11a5daaf7ac..01cb02c4d4e 100644 --- a/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h +++ b/source/module_hamilt_lcao/module_deepks/deepks_vdrpre.h @@ -3,10 +3,10 @@ #ifdef __MLALGO -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h index f1d99a0b093..27f98785a0d 100644 --- a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h +++ b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.h @@ -1,6 +1,6 @@ #include "klist.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp index d4924ece85f..076544100c9 100644 --- a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp +++ b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test_prep.cpp @@ -1,5 +1,5 @@ #include "LCAO_deepks_test.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_parameter/parameter.h" #undef private diff --git a/source/module_hamilt_lcao/module_deepks/test/Makefile b/source/module_hamilt_lcao/module_deepks/test/Makefile index 34553c1c722..099b23fda24 100644 --- a/source/module_hamilt_lcao/module_deepks/test/Makefile +++ b/source/module_hamilt_lcao/module_deepks/test/Makefile @@ -46,7 +46,7 @@ OPTS = ${INCLUDES} -Ofast -std=c++14 -march=native -xHost -m64 -qopenmp -Werror include Makefile.Objects VPATH=../../../source_main\ -:../../module_base\ +:../../source_base\ :../../module_io\ :../../module_hamilt_pw/hamilt_pwdft\ :../../module_basis/module_ao\ diff --git a/source/module_hamilt_lcao/module_deepks/test/klist.h b/source/module_hamilt_lcao/module_deepks/test/klist.h index e4fa22b0d79..3f63ed54a96 100644 --- a/source/module_hamilt_lcao/module_deepks/test/klist.h +++ b/source/module_hamilt_lcao/module_deepks/test/klist.h @@ -1,10 +1,10 @@ ///klist : adapted from klist from module_hamilt_pw/hamilt_pwdft ///deals with k point sampling -#include "module_base/vector3.h" -#include "module_base/matrix3.h" -#include "module_base/memory.h" -#include "module_base/global_function.h" +#include "source_base/vector3.h" +#include "source_base/matrix3.h" +#include "source_base/memory.h" +#include "source_base/global_function.h" #include #include diff --git a/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h b/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h index b3a9148e066..d301ca31838 100644 --- a/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h +++ b/source/module_hamilt_lcao/module_deepks/test/parallel_orbitals.h @@ -1,9 +1,9 @@ ///adapted from parallel_orbitals from module_basis/module_ao ///deals with the parallelization of atomic basis -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" namespace Test_Deepks { diff --git a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp index 0e47397e9d6..343b2b37a73 100644 --- a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp @@ -1,8 +1,8 @@ #include "basic_funcs.h" #include -#include "module_base/formatter.h" -#include "module_base/constants.h" +#include "source_base/formatter.h" +#include "source_base/constants.h" double maxval_abs_2d(const std::vector>& array) { diff --git a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h index eb81a782cb4..b1de060c4bb 100644 --- a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h +++ b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.h @@ -5,7 +5,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" /** * @brief Find the maximum absolute value in a 2D array. diff --git a/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp b/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp index 25b2e4e879c..97097bfd3c5 100644 --- a/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/cal_mw.cpp @@ -1,10 +1,10 @@ #include -#include "module_base/matrix.h" -#include "module_base/name_angular.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/matrix.h" +#include "source_base/name_angular.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "spin_constrain.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp b/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp index 2721c309653..33e6abf42c3 100644 --- a/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/cal_mw_from_lambda.cpp @@ -1,11 +1,11 @@ -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "spin_constrain.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/hsolver_lcao.h" #include "source_hsolver/hsolver_pw.h" #include "module_elecstate/elecstate_pw.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp index 30500ccca9e..fb21e1ab7ce 100644 --- a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp +++ b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.cpp @@ -1,6 +1,6 @@ #include "spin_constrain.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.h" #include diff --git a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h index 2e7cf6c8dbe..3877be8507c 100644 --- a/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h +++ b/source/module_hamilt_lcao/module_deltaspin/spin_constrain.h @@ -4,10 +4,10 @@ #include #include -#include "module_base/constants.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h b/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h index 9f94cbfd86d..0b280cd2acf 100644 --- a/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h +++ b/source/module_hamilt_lcao/module_deltaspin/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_hamilt_lcao/module_dftu/dftu.cpp b/source/module_hamilt_lcao/module_dftu/dftu.cpp index 751a9f05fd4..50e2fb9a3ac 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu.cpp @@ -1,12 +1,12 @@ #include "dftu.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/inverse_matrix.h" -#include "module_base/memory.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/inverse_matrix.h" +#include "source_base/memory.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_elecstate/magnetism.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp b/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp index ee3b6413848..a5902a70788 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_folding.cpp @@ -1,6 +1,6 @@ #ifdef __LCAO #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_force.cpp b/source/module_hamilt_lcao/module_dftu/dftu_force.cpp index f4423f623d6..1b130294fd6 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_force.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_force.cpp @@ -5,11 +5,11 @@ //========================================================== #ifdef __LCAO #include "dftu.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/inverse_matrix.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/inverse_matrix.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/magnetism.h" #include "module_elecstate/module_charge/charge.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp b/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp index 90d781ae9cb..b29ea4fa3b5 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_hamilt.cpp @@ -1,7 +1,7 @@ #include "dftu.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" namespace ModuleDFTU diff --git a/source/module_hamilt_lcao/module_dftu/dftu_io.cpp b/source/module_hamilt_lcao/module_dftu/dftu_io.cpp index 0a1c79b2470..78b96946a73 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_io.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_io.cpp @@ -1,5 +1,5 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp b/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp index 0a2c80ddf41..78916a951c6 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_occup.cpp @@ -1,11 +1,11 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef __LCAO #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #endif -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" namespace ModuleDFTU { diff --git a/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp b/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp index 0ae2588625d..817bd61e87f 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_pw.cpp @@ -1,8 +1,8 @@ #include "dftu.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace ModuleDFTU diff --git a/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp b/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp index e7d78704d78..40a7e8365bc 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_tools.cpp @@ -1,5 +1,5 @@ #include "dftu.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp b/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp index 7845fe99635..d066728aab8 100644 --- a/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp +++ b/source/module_hamilt_lcao/module_dftu/dftu_yukawa.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" // DATE : 2019-12-10 //========================================================== -#include "module_base/constants.h" -#include "module_base/global_function.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "dftu.h" diff --git a/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp index ea785361f11..206c6f95e82 100644 --- a/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_ddpsir_ylm.cpp @@ -1,6 +1,6 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace Gint_Tools{ void cal_ddpsir_ylm( const Grid_Technique& gt, const int bxyz, diff --git a/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp index 494ffb85f5b..8b32b2fc05d 100644 --- a/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_dpsir_ylm.cpp @@ -1,7 +1,7 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" namespace Gint_Tools{ void cal_dpsir_ylm( const Grid_Technique& gt, const int bxyz, diff --git a/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp b/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp index 0eb9b16e6ba..4eeedd19a52 100644 --- a/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp +++ b/source/module_hamilt_lcao/module_gint/cal_psir_ylm.cpp @@ -1,6 +1,6 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace Gint_Tools{ void cal_psir_ylm( const Grid_Technique& gt, diff --git a/source/module_hamilt_lcao/module_gint/gint.cpp b/source/module_hamilt_lcao/module_gint/gint.cpp index 6ee4c238d1c..e764eaf8a85 100644 --- a/source/module_hamilt_lcao/module_gint/gint.cpp +++ b/source/module_hamilt_lcao/module_gint/gint.cpp @@ -7,8 +7,8 @@ #include "gint_vl_gpu.h" #endif -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp index b024bca4d80..e3b6a30077e 100644 --- a/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_force_cpu_interface.cpp @@ -1,6 +1,6 @@ #include "gint.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" void Gint::gint_kernel_force(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_force"); diff --git a/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu index 9cb3e785c41..cb3390aacc1 100644 --- a/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_force_gpu.cu @@ -5,7 +5,7 @@ #include "gint_force_gpu.h" #include "kernels/cuda/cuda_tools.cuh" #include "kernels/cuda/gint_force.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_tools.h" namespace GintKernel diff --git a/source/module_hamilt_lcao/module_gint/gint_fvl.cpp b/source/module_hamilt_lcao/module_gint/gint_fvl.cpp index 379b4eb26c4..530ae01d5df 100644 --- a/source/module_hamilt_lcao/module_gint/gint_fvl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_fvl.cpp @@ -1,8 +1,8 @@ #include "gint_k.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" // This function utilizes the cache more effectively than calling the ddot function, thus performing faster. void Gint::cal_meshball_force( diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma.h b/source/module_hamilt_lcao/module_gint/gint_gamma.h index 323893cbdf0..7ed6e2c9b9a 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma.h +++ b/source/module_hamilt_lcao/module_gint/gint_gamma.h @@ -6,8 +6,8 @@ #ifndef GINT_GAMMA_H #define GINT_GAMMA_H #include "gint.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "grid_technique.h" #ifdef _OPENMP #include diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp b/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp index 222c604c73a..96d1ccce656 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp @@ -1,8 +1,8 @@ #include "gint_gamma.h" #include "grid_technique.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp b/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp index 5e92930e34d..dcbf5e30d84 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gamma_vl.cpp @@ -4,9 +4,9 @@ #include "gint_gamma.h" #include "gint_tools.h" #include "grid_technique.h" -#include "module_base/blas_connector.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp index 9d6e6e08948..683f003f4dc 100644 --- a/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_gpu_interface.cpp @@ -3,8 +3,8 @@ #include "module_parameter/parameter.h" #include "gint_rho_gpu.h" #include "gint_vl_gpu.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" void Gint::gpu_vlocal_interface(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_vlocal"); diff --git a/source/module_hamilt_lcao/module_gint/gint_k.h b/source/module_hamilt_lcao/module_gint/gint_k.h index 74ac0a744d0..bac8869bd9a 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k.h +++ b/source/module_hamilt_lcao/module_gint/gint_k.h @@ -8,7 +8,7 @@ #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" // add by jingan for map<> in 2021-12-2, will be deleted in the future -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" class Gint_k : public Gint { public: diff --git a/source/module_hamilt_lcao/module_gint/gint_k_env.cpp b/source/module_hamilt_lcao/module_gint/gint_k_env.cpp index da212ce4f00..b884a155eb9 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_env.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_env.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/array_pool.h" -#include "module_base/vector3.h" +#include "source_base/array_pool.h" +#include "source_base/vector3.h" void Gint_k::cal_env_k(int ik, const std::complex* psi_k, diff --git a/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp b/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp index 6562c760a38..2eb66202f81 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_pvdpr.cpp @@ -1,13 +1,13 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp b/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp index 9a6cca47f74..c3f0d80b236 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp @@ -1,14 +1,14 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp index cb1c02f5cd8..0407169066c 100644 --- a/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_k_sparse1.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_rho.cpp b/source/module_hamilt_lcao/module_gint/gint_rho.cpp index 17ca9d78c18..e243415049c 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_rho.cpp @@ -1,12 +1,12 @@ #include "gint_k.h" #include "gint_tools.h" #include "grid_technique.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" -#include "module_base/ylm.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp index e3663145cc3..9454a79edc5 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_rho_cpu_interface.cpp @@ -1,7 +1,7 @@ #include "gint.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Gint::gint_kernel_rho(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_rho"); diff --git a/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu index fc5fba03c2c..c5591e662e9 100644 --- a/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu @@ -1,5 +1,5 @@ #include "kernels/cuda/cuda_tools.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_rho_gpu.h" #include "gint_tools.h" #include "kernels/cuda/gint_rho.cuh" diff --git a/source/module_hamilt_lcao/module_gint/gint_tau.cpp b/source/module_hamilt_lcao/module_gint/gint_tau.cpp index 09308c6f93c..77fd0cbd2ae 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tau.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_tau.cpp @@ -1,15 +1,15 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "gint_k.h" #include "module_basis/module_ao/ORB_read.h" #include "grid_technique.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" #include "gint_tools.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_hamilt_lcao/module_gint/grid_technique.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.cpp b/source/module_hamilt_lcao/module_gint/gint_tools.cpp index 49799475052..da96e013d65 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tools.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_tools.cpp @@ -6,9 +6,9 @@ #include #include // for std::pair -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.h b/source/module_hamilt_lcao/module_gint/gint_tools.h index a2ea0a20c0e..3a25daa2910 100644 --- a/source/module_hamilt_lcao/module_gint/gint_tools.h +++ b/source/module_hamilt_lcao/module_gint/gint_tools.h @@ -6,7 +6,7 @@ #include "grid_technique.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" #include #include // for std::pair diff --git a/source/module_hamilt_lcao/module_gint/gint_vl.cpp b/source/module_hamilt_lcao/module_gint/gint_vl.cpp index 043f80225ad..f5f73cda985 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_vl.cpp @@ -1,14 +1,14 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "gint_k.h" #include "module_basis/module_ao/ORB_read.h" #include "grid_technique.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/array_pool.h" -#include "module_base/vector3.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/array_pool.h" +#include "source_base/vector3.h" //#include #ifdef _OPENMP diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp index 0eb684ad5fa..3f6cf367677 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/gint_vl_cpu_interface.cpp @@ -1,7 +1,7 @@ #include "gint.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" void Gint::gint_kernel_vlocal(Gint_inout* inout) { ModuleBase::TITLE("Gint_interface", "cal_gint_vlocal"); diff --git a/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu b/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu index c58896f34ca..ddbca83a600 100644 --- a/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu +++ b/source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu @@ -3,7 +3,7 @@ #endif #include "kernels/cuda/cuda_tools.cuh" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "gint_vl_gpu.h" #include "kernels/cuda/gint_vl.cuh" diff --git a/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp b/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp index 7f472180966..fdec1f29b5e 100644 --- a/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_bigcell.cpp @@ -1,8 +1,8 @@ #include "grid_bigcell.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_gint/grid_bigcell.h b/source/module_hamilt_lcao/module_gint/grid_bigcell.h index 10f52a7419f..7d380782ddd 100644 --- a/source/module_hamilt_lcao/module_gint/grid_bigcell.h +++ b/source/module_hamilt_lcao/module_gint/grid_bigcell.h @@ -1,9 +1,9 @@ #ifndef GRID_BIGCELL_H #define GRID_BIGCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "grid_meshcell.h" class Grid_BigCell: public Grid_MeshCell diff --git a/source/module_hamilt_lcao/module_gint/grid_meshball.cpp b/source/module_hamilt_lcao/module_gint/grid_meshball.cpp index 797581316d1..5a1c395c9a6 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshball.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_meshball.cpp @@ -1,5 +1,5 @@ #include "grid_meshball.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" Grid_MeshBall::Grid_MeshBall() diff --git a/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp b/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp index c064c974368..d0f724b4dd7 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_meshcell.cpp @@ -1,7 +1,7 @@ #include "grid_meshcell.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" Grid_MeshCell::Grid_MeshCell() diff --git a/source/module_hamilt_lcao/module_gint/grid_meshcell.h b/source/module_hamilt_lcao/module_gint/grid_meshcell.h index 67a1863ed05..4351981d23c 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshcell.h +++ b/source/module_hamilt_lcao/module_gint/grid_meshcell.h @@ -1,8 +1,8 @@ #ifndef GRID_MESHCELL_H #define GRID_MESHCELL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix3.h" #include "grid_meshk.h" #include "module_cell/unitcell.h" class Grid_MeshCell: public Grid_MeshK diff --git a/source/module_hamilt_lcao/module_gint/grid_meshk.h b/source/module_hamilt_lcao/module_gint/grid_meshk.h index 22f27e1c78f..fb8d458bb09 100644 --- a/source/module_hamilt_lcao/module_gint/grid_meshk.h +++ b/source/module_hamilt_lcao/module_gint/grid_meshk.h @@ -1,8 +1,8 @@ #ifndef GRID_MESHK_H #define GRID_MESHK_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/vector3.h" class Grid_MeshK { diff --git a/source/module_hamilt_lcao/module_gint/grid_technique.cpp b/source/module_hamilt_lcao/module_gint/grid_technique.cpp index c61b7cc702b..b343d5ea2c1 100644 --- a/source/module_hamilt_lcao/module_gint/grid_technique.cpp +++ b/source/module_hamilt_lcao/module_gint/grid_technique.cpp @@ -4,9 +4,9 @@ #endif #include "grid_technique.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "source_hsolver/kernels/cuda/helper_cuda.h" diff --git a/source/module_hamilt_lcao/module_gint/gtask_force.cpp b/source/module_hamilt_lcao/module_gint/gtask_force.cpp index 186bf372573..66efb96f6dd 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_force.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_force.cpp @@ -1,9 +1,9 @@ #include #include "gint_force_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/gtask_rho.cpp b/source/module_hamilt_lcao/module_gint/gtask_rho.cpp index 9a7e618b424..917fc2bc25c 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_rho.cpp @@ -1,7 +1,7 @@ #include "gint_rho_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "omp.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/gtask_vl.cpp b/source/module_hamilt_lcao/module_gint/gtask_vl.cpp index ba09ea0949b..673e4635a77 100644 --- a/source/module_hamilt_lcao/module_gint/gtask_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/gtask_vl.cpp @@ -1,9 +1,9 @@ #include #include "gint_vl_gpu.h" -#include "module_base/ylm.h" +#include "source_base/ylm.h" #include "module_hamilt_lcao/module_gint/gint_tools.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/init_orb.cpp b/source/module_hamilt_lcao/module_gint/init_orb.cpp index 7e90af608bf..e6d8dd49acd 100644 --- a/source/module_hamilt_lcao/module_gint/init_orb.cpp +++ b/source/module_hamilt_lcao/module_gint/init_orb.cpp @@ -1,5 +1,5 @@ #include "gint_tools.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu b/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu index cfad7440f3e..b8dda451f4b 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/gemm_selector.cu @@ -3,7 +3,7 @@ #include "gemm_selector.cuh" #include "vbatch_matrix_mul.cuh" #include "cuda_tools.cuh" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "code_gen.cuh" /* diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu b/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu index 4375af7eeef..0199c9e37a4 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/gint_force.cu @@ -2,7 +2,7 @@ #include "interp.cuh" #include "gint_force.cuh" #include "cuda_tools.cuh" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" // CUDA kernel to calculate psi and force namespace GintKernel { diff --git a/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh b/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh index 38a2c3c2b16..013232cfac3 100644 --- a/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh +++ b/source/module_hamilt_lcao/module_gint/kernels/cuda/vbatch_matrix_mul.cuh @@ -10,7 +10,7 @@ #include #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #define sA(i, j) sA[(j)*slda + (i)] diff --git a/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp b/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp index efa51ec4a66..aeb6e2f6cbc 100644 --- a/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp +++ b/source/module_hamilt_lcao/module_gint/mult_psi_dmr.cpp @@ -1,7 +1,7 @@ #include "gint_tools.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" -#include "module_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" +#include "source_base/blas_connector.h" namespace Gint_Tools{ diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp index 91b30748dd5..6ae3735ec61 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_atom.cpp @@ -1,5 +1,5 @@ -#include "module_base/ylm.h" -#include "module_base/array_pool.h" +#include "source_base/ylm.h" +#include "source_base/array_pool.h" #include "gint_atom.h" #include "gint_helper.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp index f97ccf0ed3c..01fd6de0ab8 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_fvl.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h index ae75eda62d3..013c7b2e0aa 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl.h @@ -3,7 +3,7 @@ #include #include #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "gint.h" #include "gint_info.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp index d493d954b72..15ca44b041e 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_fvl_meta.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h index 36c8e698222..636bbc47b5a 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_fvl_meta.h @@ -3,7 +3,7 @@ #include #include #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "gint.h" #include "gint_info.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h index b1f72c5a11b..687c37df509 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_helper.h @@ -3,7 +3,7 @@ #include #include #include "gint_type.h" -#include "module_base/timer.h" +#include "source_base/timer.h" template std::shared_ptr toConstSharedPtr(std::shared_ptr ptr) { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp index 5283f37ab15..11f2a5d59ef 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_info.cpp @@ -1,7 +1,7 @@ #include #include #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "gint_info.h" #include "gint_type.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp index 28b2770cdb7..bd945b8b193 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_interface.cpp @@ -1,5 +1,5 @@ #include "gint_interface.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "gint_vl.h" #include "gint_vl_metagga.h" #include "gint_vl_nspin4.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp index fa645af9ef5..2924487c7e4 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_rho.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_rho.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp index 94d1539d9d1..f5d0b70a0c8 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_tau.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "gint_tau.h" #include "gint_common.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h b/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h index c6e9369ad22..9cf623765b4 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_type.h @@ -1,8 +1,8 @@ #pragma once #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/vector3.h" -#include "module_base/matrix3.h" +#include "source_base/vector3.h" +#include "source_base/matrix3.h" using Matrix3 = ModuleBase::Matrix3; using Vec3d = ModuleBase::Vector3; diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp index 734e68bb574..b0107bf0643 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl.cpp @@ -1,4 +1,4 @@ -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp index 4c6d2ac535e..fa651a89e1b 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga.cpp @@ -1,4 +1,4 @@ -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_metagga.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp index 6f5a468254f..986b182c09f 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_metagga_nspin4.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_metagga_nspin4.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp index 698d207ec72..db211570cab 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/gint_vl_nspin4.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" #include "gint_common.h" #include "gint_vl_nspin4.h" #include "phi_operator.h" diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp index 4a037d53be3..d7145468649 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.cpp @@ -1,6 +1,6 @@ #include "phi_operator.h" -#include "module_base/global_function.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/matrix.h" namespace ModuleGint { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp index 7c46c80fe53..44603560d2c 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/phi_operator.hpp @@ -1,8 +1,8 @@ #pragma once #include "phi_operator.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" namespace ModuleGint { diff --git a/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp b/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp index dd0b77f18fa..4d01acc2625 100644 --- a/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp +++ b/source/module_hamilt_lcao/module_gint/temp_gint/set_ddphi.cpp @@ -1,6 +1,6 @@ -#include "module_base/array_pool.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/array_pool.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" #include "gint_atom.h" #include "gint_helper.h" diff --git a/source/module_hamilt_lcao/module_gint/test/test_sph.cu b/source/module_hamilt_lcao/module_gint/test/test_sph.cu index 3521e1d46cc..58b0a6c3290 100644 --- a/source/module_hamilt_lcao/module_gint/test/test_sph.cu +++ b/source/module_hamilt_lcao/module_gint/test/test_sph.cu @@ -8,7 +8,7 @@ #include "gtest/gtest.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "test_sph.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" using namespace std; class gintTest : public ::testing::Test diff --git a/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp b/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp index 0a6d3162721..b66bad470dd 100644 --- a/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/atom_pair.cpp @@ -1,7 +1,7 @@ #include "atom_pair.h" #include #include -#include "module_base/blas_connector.h" +#include "source_base/blas_connector.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/atom_pair.h b/source/module_hamilt_lcao/module_hcontainer/atom_pair.h index f0593641f98..3bdb94051e8 100644 --- a/source/module_hamilt_lcao/module_hcontainer/atom_pair.h +++ b/source/module_hamilt_lcao/module_hcontainer/atom_pair.h @@ -3,7 +3,7 @@ // #include "module_cell/atom_spec.h" #include "base_matrix.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp b/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp index ff5471bfb6e..d246dd29694 100644 --- a/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/base_matrix.cpp @@ -2,7 +2,7 @@ #include #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp b/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp index 6d235b1d67e..58ba3d267a7 100644 --- a/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/func_folding.cpp @@ -1,5 +1,5 @@ #include "hcontainer_funcs.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace hamilt { diff --git a/source/module_hamilt_lcao/module_hcontainer/hcontainer.h b/source/module_hamilt_lcao/module_hcontainer/hcontainer.h index c823f060273..aa592019c07 100644 --- a/source/module_hamilt_lcao/module_hcontainer/hcontainer.h +++ b/source/module_hamilt_lcao/module_hcontainer/hcontainer.h @@ -2,7 +2,7 @@ #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_HCONTAINER_HCONTAINER_H #include "atom_pair.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h b/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h index 84e0c9a4ecd..3f0f58cabd4 100644 --- a/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h +++ b/source/module_hamilt_lcao/module_hcontainer/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_hamilt_lcao/module_hcontainer/transfer.cpp b/source/module_hamilt_lcao/module_hcontainer/transfer.cpp index 0d984ab5c4b..81320cb689f 100644 --- a/source/module_hamilt_lcao/module_hcontainer/transfer.cpp +++ b/source/module_hamilt_lcao/module_hcontainer/transfer.cpp @@ -2,8 +2,8 @@ #include -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" #ifdef __MPI #include diff --git a/source/module_hamilt_lcao/module_hcontainer/transfer.h b/source/module_hamilt_lcao/module_hcontainer/transfer.h index 35c41e43503..5b274cbad3f 100644 --- a/source/module_hamilt_lcao/module_hcontainer/transfer.h +++ b/source/module_hamilt_lcao/module_hcontainer/transfer.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "./hcontainer.h" #ifdef __MPI diff --git a/source/module_hamilt_lcao/module_tddft/band_energy.cpp b/source/module_hamilt_lcao/module_tddft/band_energy.cpp index c148042be30..e52678df6c1 100644 --- a/source/module_hamilt_lcao/module_tddft/band_energy.cpp +++ b/source/module_hamilt_lcao/module_tddft/band_energy.cpp @@ -1,9 +1,9 @@ #include "band_energy.h" #include "evolve_elec.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/band_energy.h b/source/module_hamilt_lcao/module_tddft/band_energy.h index 4e1ab9aa5b6..fbf74537b70 100644 --- a/source/module_hamilt_lcao/module_tddft/band_energy.h +++ b/source/module_hamilt_lcao/module_tddft/band_energy.h @@ -6,7 +6,7 @@ #ifndef BANDENERGY_H #define BANDENERGY_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp b/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp index 95b05872d21..63561d9b954 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp +++ b/source/module_hamilt_lcao/module_tddft/evolve_elec.cpp @@ -1,8 +1,8 @@ #include "evolve_elec.h" #include "evolve_psi.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_elec.h b/source/module_hamilt_lcao/module_tddft/evolve_elec.h index d33f10c5473..3377dbc579f 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_elec.h +++ b/source/module_hamilt_lcao/module_tddft/evolve_elec.h @@ -1,13 +1,13 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_TDDFT_EVOLVE_ELEC_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_LCAO_MODULE_TDDFT_EVOLVE_ELEC_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor -#include "module_base/module_container/ATen/core/tensor_map.h" // TensorMap -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" // Cpxgemr2d +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor_map.h" // TensorMap +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" // Cpxgemr2d #include "source_esolver/esolver_ks_lcao.h" #include "source_esolver/esolver_ks_lcao_tddft.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp b/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp index 8a44adea784..277bbf90f01 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp +++ b/source/module_hamilt_lcao/module_tddft/evolve_psi.cpp @@ -2,10 +2,10 @@ #include "band_energy.h" #include "middle_hamilt.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" // cuBLAS handle -#include "module_base/module_container/ATen/kernels/lapack.h" // cuSOLVER handle -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" // cuBLAS handle +#include "source_base/module_container/ATen/kernels/lapack.h" // cuSOLVER handle +#include "source_base/scalapack_connector.h" #include "source_esolver/esolver_ks_lcao_tddft.h" // use gatherMatrix #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_lcao/module_tddft/evolve_psi.h b/source/module_hamilt_lcao/module_tddft/evolve_psi.h index 44f0db888ab..f70fc7ebcd6 100644 --- a/source/module_hamilt_lcao/module_tddft/evolve_psi.h +++ b/source/module_hamilt_lcao/module_tddft/evolve_psi.h @@ -6,8 +6,8 @@ #ifndef ELEC_PSI_H #define ELEC_PSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor -#include "module_base/module_container/ATen/core/tensor_map.h" // TensorMap +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor_map.h" // TensorMap #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp b/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp index 94b3dc3f5d1..da729113352 100644 --- a/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp +++ b/source/module_hamilt_lcao/module_tddft/middle_hamilt.cpp @@ -1,9 +1,9 @@ #include "middle_hamilt.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/middle_hamilt.h b/source/module_hamilt_lcao/module_tddft/middle_hamilt.h index 4b153e31666..0d6377cc22e 100644 --- a/source/module_hamilt_lcao/module_tddft/middle_hamilt.h +++ b/source/module_hamilt_lcao/module_tddft/middle_hamilt.h @@ -6,7 +6,7 @@ #ifndef MIDDLE_HAMILT_H #define MIDDLE_HAMILT_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/norm_psi.cpp b/source/module_hamilt_lcao/module_tddft/norm_psi.cpp index bbd7ea8956c..913554c815d 100644 --- a/source/module_hamilt_lcao/module_tddft/norm_psi.cpp +++ b/source/module_hamilt_lcao/module_tddft/norm_psi.cpp @@ -1,8 +1,8 @@ #include "norm_psi.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/norm_psi.h b/source/module_hamilt_lcao/module_tddft/norm_psi.h index 6d3e455a3a4..208eaa11e8a 100644 --- a/source/module_hamilt_lcao/module_tddft/norm_psi.h +++ b/source/module_hamilt_lcao/module_tddft/norm_psi.h @@ -6,7 +6,7 @@ #ifndef NORM_PSI_H #define NORM_PSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator.cpp b/source/module_hamilt_lcao/module_tddft/propagator.cpp index 154671176ef..74f1c3088f8 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator.cpp @@ -1,11 +1,11 @@ #include "propagator.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator.h b/source/module_hamilt_lcao/module_tddft/propagator.h index cb77300b4a4..fe360c5fb86 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator.h +++ b/source/module_hamilt_lcao/module_tddft/propagator.h @@ -6,8 +6,8 @@ #ifndef PROPAGATOR_H #define PROPAGATOR_H -#include "module_base/constants.h" -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/constants.h" +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp b/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp index d87cf3c5930..8ccbd2a5a06 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_cn2.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp b/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp index ad37264d59b..e3dcec0b0df 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_etrs.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp b/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp index 58567a900a0..ae03c184170 100644 --- a/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp +++ b/source/module_hamilt_lcao/module_tddft/propagator_taylor.cpp @@ -1,9 +1,9 @@ -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/module_container/ATen/kernels/lapack.h" -#include "module_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) -#include "module_base/module_device/memory_op.h" // memory operations -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/lapack.h" +#include "source_base/module_container/ATen/kernels/memory.h" // memory operations (Tensor) +#include "source_base/module_device/memory_op.h" // memory operations +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "propagator.h" diff --git a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp index b03e5a380d2..97a71345c8e 100644 --- a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp +++ b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.cpp @@ -1,10 +1,10 @@ #include "snap_psibeta_half_tddft.h" -#include "module_base/constants.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/timer.h" -#include "module_base/ylm.h" +#include "source_base/constants.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/timer.h" +#include "source_base/ylm.h" namespace module_tddft { diff --git a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h index 04c8eb97604..21f1df41dd2 100644 --- a/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h +++ b/source/module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_read.h" #include "module_cell/setup_nonlocal.h" diff --git a/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp b/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp index 45d8a1231a2..f8df6a6c71d 100644 --- a/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp +++ b/source/module_hamilt_lcao/module_tddft/solve_propagation.cpp @@ -2,8 +2,8 @@ #include -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace module_tddft { diff --git a/source/module_hamilt_lcao/module_tddft/td_current.cpp b/source/module_hamilt_lcao/module_tddft/td_current.cpp index 558ab304cc5..d307b5a2569 100644 --- a/source/module_hamilt_lcao/module_tddft/td_current.cpp +++ b/source/module_hamilt_lcao/module_tddft/td_current.cpp @@ -1,7 +1,7 @@ #include "td_current.h" #ifdef __LCAO -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_lcao/module_tddft/snap_psibeta_half_tddft.h" #ifdef _OPENMP #include diff --git a/source/module_hamilt_lcao/module_tddft/td_current.h b/source/module_hamilt_lcao/module_tddft/td_current.h index 2d4fa5c1b10..b0c3a38c57c 100644 --- a/source/module_hamilt_lcao/module_tddft/td_current.h +++ b/source/module_hamilt_lcao/module_tddft/td_current.h @@ -7,7 +7,7 @@ #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "td_velocity.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #ifdef __LCAO //design to calculate current for length gauge diff --git a/source/module_hamilt_lcao/module_tddft/td_velocity.h b/source/module_hamilt_lcao/module_tddft/td_velocity.h index 1fdc1dd5c4c..a16e2b83e8b 100644 --- a/source/module_hamilt_lcao/module_tddft/td_velocity.h +++ b/source/module_hamilt_lcao/module_tddft/td_velocity.h @@ -1,7 +1,7 @@ #ifndef TD_VELOCITY_H #define TD_VELOCITY_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/timer.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" #include diff --git a/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp b/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp index 706b50a603f..a32e10ba718 100644 --- a/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/band_energy_test.cpp @@ -1,7 +1,7 @@ #include "module_hamilt_lcao/module_tddft/band_energy.h" #include -#include +#include #include #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp b/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp index 6ac920400a2..a7fecf63e15 100644 --- a/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/middle_hamilt_test.cpp @@ -1,11 +1,11 @@ #include "module_hamilt_lcao/module_tddft/middle_hamilt.h" -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "tddft_test.h" #include -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp b/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp index e4b8852c95e..f2692870b33 100644 --- a/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/norm_psi_test.cpp @@ -1,11 +1,11 @@ #include "module_hamilt_lcao/module_tddft/norm_psi.h" -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "tddft_test.h" #include -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp index 0002ee4b440..80bf8cb3d7f 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test1.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp index 7ff2416a6af..7b05804f5c4 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test2.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp b/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp index faabe0019d2..8e59906b189 100644 --- a/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/propagator_test3.cpp @@ -6,7 +6,7 @@ #include "module_parameter/parameter.h" #include "tddft_test.h" -#include +#include #include /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp b/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp index a55ad596816..f3eec742025 100644 --- a/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/tddft_test.cpp @@ -3,8 +3,8 @@ #include #include -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include "module_basis/module_ao/parallel_orbitals.h" /************************************************ diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp index 6ffe45a3bdf..25558c9c422 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test1.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp index 915b2a248b2..cc9010fef61 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test2.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp b/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp index cf5e177b132..dbb332b453d 100644 --- a/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp +++ b/source/module_hamilt_lcao/module_tddft/test/upsi_test3.cpp @@ -1,10 +1,10 @@ -#include "module_base/global_variable.h" // GlobalV::ofs_running +#include "source_base/global_variable.h" // GlobalV::ofs_running #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/module_tddft/upsi.h" #include "tddft_test.h" #include -#include +#include #include #define doublethreshold 1e-8 diff --git a/source/module_hamilt_lcao/module_tddft/upsi.cpp b/source/module_hamilt_lcao/module_tddft/upsi.cpp index cc9a2448a8a..15d78f19e21 100644 --- a/source/module_hamilt_lcao/module_tddft/upsi.cpp +++ b/source/module_hamilt_lcao/module_tddft/upsi.cpp @@ -1,8 +1,8 @@ #include "upsi.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_container/ATen/kernels/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_container/ATen/kernels/blas.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_hamilt_lcao/module_tddft/upsi.h b/source/module_hamilt_lcao/module_tddft/upsi.h index c687a18fed7..b65d2e5f777 100644 --- a/source/module_hamilt_lcao/module_tddft/upsi.h +++ b/source/module_hamilt_lcao/module_tddft/upsi.h @@ -7,7 +7,7 @@ #ifndef UPSI_H #define UPSI_H -#include "module_base/module_container/ATen/core/tensor.h" // ct::Tensor +#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp index 733c10bc4c4..ed3da4ad22d 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_LKT::set_para(double dV, double lkt_a) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h index 6df93bfb33e..a08bf42acbe 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_lkt.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp index e30555f75cb..174c726c063 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml.cpp @@ -3,8 +3,8 @@ #include "kedf_ml.h" #include "npy.hpp" -#include "module_base/parallel_reduce.h" -#include "module_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void KEDF_ML::set_para( diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp index 40d25a36a22..a371eb669f9 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_ml_pot.cpp @@ -2,8 +2,8 @@ #include "kedf_ml.h" -#include "module_base/parallel_reduce.h" -#include "module_base/global_function.h" +#include "source_base/parallel_reduce.h" +#include "source_base/global_function.h" /** * @brief Calculate the Pauli potential of ML KEDF diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp index 97c0f65f2fc..3c56ac7b4b0 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_TF::set_para(int nx, double dV, double tf_weight) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h index b9c247cecc9..e3a0f58a5f9 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_tf.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" /** * @brief A class which calculates the kinetic energy, potential, and stress with Thomas-Fermi (TF) KEDF. diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp index d22a499a88b..605d38fad29 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" void KEDF_vW::set_para(double dV, double vw_weight) { diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h index 7f5cd47c40c..e987b544b78 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_vw.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp index 312d4a28900..8c9cecaeb98 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.cpp @@ -3,9 +3,9 @@ #include "module_parameter/parameter.h" #include -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" /** * @brief Set the parameters of WT KEDF, and initialize kernel diff --git a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h index a08f08c05e6..46d4fb122ab 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h +++ b/source/module_hamilt_pw/hamilt_ofdft/kedf_wt.h @@ -3,10 +3,10 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis.h" /** diff --git a/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp b/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp index 5f42c126247..29809340756 100644 --- a/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_ofdft/of_stress_pw.cpp @@ -1,6 +1,6 @@ #include "of_stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp index 0917deb22a9..88be1210cee 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.cpp @@ -1,8 +1,8 @@ #include "VL_in_pw.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" pseudopot_cell_vl::pseudopot_cell_vl() diff --git a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h index 5d439216bbe..597cac9e23a 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/VL_in_pw.h @@ -1,9 +1,9 @@ #ifndef VL_IN_PW_H #define VL_IN_PW_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp index 856ca038f72..1e38a7bc7e4 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_grad_pw.cpp @@ -1,10 +1,10 @@ #include "VNL_in_pw.h" -#include "module_base/math_sphbes.h" +#include "source_base/math_sphbes.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/math_ylmreal.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" +#include "source_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void pseudopot_cell_vnl::initgradq_vnl(const UnitCell &cell) { diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp index ee9b2bb6597..cb3fd3300ad 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.cpp @@ -1,16 +1,16 @@ #include "VNL_in_pw.h" #include "module_parameter/parameter.h" -#include "module_base/clebsch_gordan_coeff.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/clebsch_gordan_coeff.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h index 1e9fdaa7622..0ef56b0e0ba 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h @@ -1,10 +1,10 @@ #ifndef VNL_IN_PW_H #define VNL_IN_PW_H -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" -#include "module_base/intarray.h" -#include "module_base/realarray.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" +#include "source_base/intarray.h" +#include "source_base/realarray.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp b/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp index 6e70c8d1956..59f612161b0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/elecond.cpp @@ -1,9 +1,9 @@ #include "elecond.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_device.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_device.h" #include "module_elecstate/occupy.h" #include "module_io/binstream.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/elecond.h b/source/module_hamilt_pw/hamilt_pwdft/elecond.h index 8ccc0a14087..7c485299375 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/elecond.h +++ b/source/module_hamilt_pw/hamilt_pwdft/elecond.h @@ -1,7 +1,7 @@ #ifndef ELECOND_H #define ELECOND_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces.cpp index a722bc5449b..f8adc6a8f3c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces.cpp @@ -4,12 +4,12 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces.h b/source/module_hamilt_pw/hamilt_pwdft/forces.h index 5e622917610..5ee23026759 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces.h +++ b/source/module_hamilt_pw/hamilt_pwdft/forces.h @@ -1,17 +1,17 @@ #ifndef FORCES_H #define FORCES_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/module_device/memory_op.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/elecstate.h" #include "module_hamilt_pw/hamilt_pwdft/VL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include "structure_factor.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp index eaf83816e3e..b8356b82813 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_cc.cpp @@ -3,12 +3,12 @@ #include "module_parameter/parameter.h" #include "module_io/output_log.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp index bd615f0eefb..c0c033115c3 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_nl.cpp @@ -1,6 +1,6 @@ #include "forces.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp index 36f90f00011..d6a501223b5 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_onsite.cpp @@ -1,6 +1,6 @@ #include "forces.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "module_parameter/parameter.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp index 7928d38b22b..cc17003689c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_scc.cpp @@ -2,12 +2,12 @@ #include "module_io/output_log.h" #include "stress_func.h" // new -#include "module_base/complexmatrix.h" -#include "module_base/libm/libm.h" -#include "module_base/math_integral.h" -#include "module_base/mathzone.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" +#include "source_base/complexmatrix.h" +#include "source_base/libm/libm.h" +#include "source_base/math_integral.h" +#include "source_base/mathzone.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp b/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp index efa8009e639..a3884fdc250 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/forces_us.cpp @@ -1,8 +1,8 @@ #include "forces.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" -#include "module_base/math_ylmreal.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_pw.h" // This routine computes the contribution to atomic forces due diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp index 00049866f98..853ae34abd5 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.cpp @@ -1,6 +1,6 @@ #include "fs_kin_tools.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h index b6327cf47fe..ae5f84336de 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h @@ -1,6 +1,6 @@ #ifndef FS_KIN_TOOLS_H #define FS_KIN_TOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp index 95e5d337bc1..5a0ddea93c3 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.cpp @@ -1,16 +1,16 @@ #include "fs_nonlocal_tools.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "module_parameter/parameter.h" #include "nonlocal_maths.hpp" -#include "module_base/parallel_comm.h" // different MPI worlds (POOL_WORLD) +#include "source_base/parallel_comm.h" // different MPI worlds (POOL_WORLD) namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h index 64a76e700da..b8e3ad8a96b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h @@ -1,13 +1,13 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_PW_HAMILT_PWDFT_FS_NONLOCAL_TOOLS_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_HAMILT_PW_HAMILT_PWDFT_FS_NONLOCAL_TOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/global.h b/source/module_hamilt_pw/hamilt_pwdft/global.h index d6f6be697fa..202e35d1295 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/global.h +++ b/source/module_hamilt_pw/hamilt_pwdft/global.h @@ -1,8 +1,8 @@ #ifndef GLOBAL_H #define GLOBAL_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_elecstate/module_charge/charge_mixing.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_io/restart.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp index 07087eb50a0..87c4d2ce428 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.cpp @@ -1,9 +1,9 @@ #include "hamilt_pw.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "operator_pw/veff_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h index fe5abdc4ef1..10a81c45c41 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/hamilt_pw.h @@ -1,13 +1,13 @@ #ifndef HAMILTPW_H #define HAMILTPW_H -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_cell/klist.h" #include "module_elecstate/module_pot/potential_new.h" #include "source_esolver/esolver_ks_pw.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h" namespace hamilt diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu index 5d0656d105e..f659ae03c4c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/force_op.cu @@ -1,13 +1,13 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" // #include "module_psi/kernels/device.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include #include #include -#include +#include #define THREADS_PER_BLOCK 256 diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu index dfca5c4e8e9..e8f5187b357 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/cuda/stress_op.cu @@ -1,11 +1,11 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" #include "vnl_tools_cu.hpp" -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include #include #include -#include +#include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp index 8c26ca9f13d..2aea737f3d3 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.cpp @@ -1,9 +1,9 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/constants.h" -#include "module_base/libm/libm.h" -#include "module_base/math_polyint.h" -#include "module_base/memory.h" +#include "source_base/constants.h" +#include "source_base/libm/libm.h" +#include "source_base/math_polyint.h" +#include "source_base/memory.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" #include "vnl_tools.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h index 7fecd96d75a..e388f278d4c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h @@ -5,7 +5,7 @@ #include "module_psi/psi.h" #include -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp index 7c06dfc1541..149b820f493 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/ekinetic_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/ekinetic_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp index be237b64ba2..5d86ebc8ac0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/force_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp index 85caa61f4b4..35838295621 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/meta_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp index 47deaec2554..5acae657674 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/nonlocal_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/nonlocal_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp index a3be95fce83..a86be443273 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/stress_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp index 56c96157fda..09b7d3b6581 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/veff_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp index be5e6a8a68a..fe1a1c804dc 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/vnl_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/vnl_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp index 2463234c31f..eceb0575eb6 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/test/wf_op_test.cpp @@ -1,6 +1,6 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp b/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp index 1faeff358ab..d2ec1edb8ed 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/kernels/wf_op.cpp @@ -1,5 +1,5 @@ #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace hamilt{ diff --git a/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h b/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h index 95d5cc2597e..25d59963293 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h +++ b/source/module_hamilt_pw/hamilt_pwdft/module_exx_helper/exx_helper.h @@ -2,7 +2,7 @@ // For EXX in PW. // #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp b/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp index 292ad80d436..e29d077e54b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp +++ b/source/module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp @@ -1,13 +1,13 @@ #ifndef HAMILTPW_NONLOCAL_MATHS_H #define HAMILTPW_NONLOCAL_MATHS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp index 7b88204eca7..ca2453f1896 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.cpp @@ -1,10 +1,10 @@ #include "onsite_proj_tools.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/force_op.h" #include "nonlocal_maths.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h index 0376a9709fa..94bacc12297 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_proj_tools.h @@ -1,13 +1,13 @@ #ifndef MODULEHAMILTPW_ONSITEPROJTOOLS_H #define MODULEHAMILTPW_ONSITEPROJTOOLS_H -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp index 893268ae6d1..fdf403e632a 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.cpp @@ -6,16 +6,16 @@ #include #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" -#include "module_base/projgen.h" -#include "module_base/blas_connector.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/projgen.h" +#include "source_base/blas_connector.h" +#include "source_base/kernels/math_kernel_op.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_reduce.h" +#include "source_base/parallel_common.h" #endif #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/formatter.h" +#include "source_base/timer.h" +#include "source_base/formatter.h" /** * =============================================================================================== diff --git a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h index b34d8291de6..04c540e0cf1 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h +++ b/source/module_hamilt_pw/hamilt_pwdft/onsite_projector.h @@ -1,7 +1,7 @@ #ifndef MODULEHAMILTPW_ONSITEPROJECTOR_H #define MODULEHAMILTPW_ONSITEPROJECTOR_H -#include "module_base/module_device/device.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/device.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/radial_proj.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp index 65b6c5b3dc3..c7768630893 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.cpp @@ -1,9 +1,9 @@ #include "ekinetic_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h index 8061ae6e2dd..87ad93b3a0b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/ekinetic_pw.h @@ -4,7 +4,7 @@ #include "operator_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/ekinetic_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp index 817dba61cea..a87f8758aa2 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.cpp @@ -1,9 +1,9 @@ #include "meta_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_general/module_xc/xc_functional.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h index 133eed1f5b6..736bb81e861 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/meta_pw.h @@ -2,12 +2,12 @@ #define METAPW_H #include "operator_pw.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/meta_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp index 66e5f049277..2053c3b8501 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.cpp @@ -1,10 +1,10 @@ #include "nonlocal_pw.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h index 2ae106cb960..6714f86b08b 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/nonlocal_pw.h @@ -5,7 +5,7 @@ #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/nonlocal_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp index 24c5b118912..5d8702ff9dc 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.cpp @@ -1,9 +1,9 @@ #include "onsite_proj_pw.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" -#include "module_base/parallel_reduce.h" -#include "module_base/tool_quit.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/tool_quit.h" #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h" #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h index b28657d0dfa..16ab79d5ef5 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/onsite_proj_pw.h @@ -4,7 +4,7 @@ #include "operator_pw.h" #include "module_cell/unitcell.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp index 022d439fc50..e0c7f0ad900 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.cpp @@ -1,11 +1,11 @@ -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/klist.h" #include "module_hamilt_general/operator.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h index bbf5c46bf38..885c57347ef 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/op_exx_pw.h @@ -1,15 +1,15 @@ #ifndef OPEXXPW_H #define OPEXXPW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis.h" #include "module_cell/klist.h" #include "module_psi/psi.h" #include "operator_pw.h" #include "module_basis/module_pw/pw_basis_k.h" -#include "module_base/macros.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/blas_connector.h" +#include "source_base/macros.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp index f377a7f96a1..03cf3620e7c 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/operator.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/operator_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp index c69f55cbb27..e2813b3a9aa 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.cpp @@ -1,7 +1,7 @@ #include "veff_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h index 5ec042282f8..7f04c35c226 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h @@ -2,11 +2,11 @@ #define VEFFPW_H #include "operator_pw.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/veff_op.h" -#include +#include namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp index 3998ef9b85c..f9a7aa63337 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.cpp @@ -1,8 +1,8 @@ #include "velocity_pw.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" namespace hamilt { diff --git a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp index 6d0eac2c594..ff7550a51db 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.cpp @@ -1,6 +1,6 @@ #include "parallel_grid.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_parameter/parameter.h" Parallel_Grid::Parallel_Grid() { diff --git a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h index 748a612cd06..6cee615a347 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h +++ b/source/module_hamilt_pw/hamilt_pwdft/parallel_grid.h @@ -1,8 +1,8 @@ #ifndef PARALLEL_GRID_H #define PARALLEL_GRID_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" class Parallel_Grid { diff --git a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp index 88cfeeadeeb..11a1175e980 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.cpp @@ -4,11 +4,11 @@ #include #include #include "module_hamilt_pw/hamilt_pwdft/radial_proj.h" -#include "module_base/constants.h" -#include "module_base/matrix.h" -#include "module_base/math_ylmreal.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/timer.h" +#include "source_base/constants.h" +#include "source_base/matrix.h" +#include "source_base/math_ylmreal.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/timer.h" void RadialProjection::RadialProjector::_build_backward_map(const std::vector>& it2iproj, const std::vector& iproj2l, @@ -98,7 +98,7 @@ void RadialProjection::RadialProjector::_build_sbt_tab(const int nr, std::vector _temp(nq); // the SphericalBesselTransformer's result is multiplied by one extra factor sqrt(2/pi), should remove it - // see module_base/spherical_bessel_transformer.h and module_base/spherical_bessel_transformer.cpp:328 + // see source_base/spherical_bessel_transformer.h and source_base/spherical_bessel_transformer.cpp:328 const double pref = std::sqrt(2.0/std::acos(-1.0)); for(int i = 0; i < nrad; i++) { diff --git a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h index f1e35509e71..0807fcdff7e 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h +++ b/source/module_hamilt_pw/hamilt_pwdft/radial_proj.h @@ -12,8 +12,8 @@ */ -#include "module_base/vector3.h" -#include "module_base/cubic_spline.h" +#include "source_base/vector3.h" +#include "source_base/cubic_spline.h" #include #include #include diff --git a/source/module_hamilt_pw/hamilt_pwdft/soc.h b/source/module_hamilt_pw/hamilt_pwdft/soc.h index f30bc948894..282b77f604f 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/soc.h +++ b/source/module_hamilt_pw/hamilt_pwdft/soc.h @@ -1,8 +1,8 @@ #ifndef SOC_H #define SOC_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" class Fcoef { diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func.h b/source/module_hamilt_pw/hamilt_pwdft/stress_func.h index 20f6a91937b..5c9457947b7 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func.h +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func.h @@ -1,20 +1,20 @@ #ifndef STRESS_FUNC_H #define STRESS_FUNC_H -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/matrix.h" -#include "module_base/parallel_reduce.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" +#include "source_base/parallel_reduce.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_pwdft/VNL_in_pw.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/stress_op.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" //------------------------------------------------------------------- diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp index 32d5c2339df..51e0eccb7c8 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_cc.cpp @@ -1,8 +1,8 @@ #include "stress_func.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/cal_ux.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp index 8cd845e3134..6f8c283a1c0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_ewa.cpp @@ -1,8 +1,8 @@ #include "stress_func.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/libm/libm.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/libm/libm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp index 8fd5dcd7e4c..72d9d0c78b3 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_gga.cpp @@ -1,6 +1,6 @@ #include "stress_func.h" #include "module_hamilt_general/module_xc/xc_functional.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate the GGA stress correction in PW and LCAO diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp index 44b5ea3b400..1b73277f1a0 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_har.cpp @@ -1,7 +1,7 @@ #include "stress_func.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate the Hartree part in PW or LCAO base diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp index 0de21d6178b..2e6376f434d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_kin.cpp @@ -1,7 +1,7 @@ #include "stress_func.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h" //calculate the kinetic stress in PW base diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp index a24fe639d12..01f54c2ba1f 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_loc.cpp @@ -1,9 +1,9 @@ #include "stress_func.h" -#include "module_base/math_integral.h" +#include "source_base/math_integral.h" #include "module_parameter/parameter.h" -#include "module_base/tool_threading.h" -#include "module_base/timer.h" -#include "module_base/libm/libm.h" +#include "source_base/tool_threading.h" +#include "source_base/timer.h" +#include "source_base/libm/libm.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //calculate local pseudopotential stress in PW or VL_dVL stress in LCAO diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp index c528b0f4174..b26829007dc 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_mgga.cpp @@ -1,4 +1,4 @@ -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp index 41554e37ba8..b8b9f8b381d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_nl.cpp @@ -1,9 +1,9 @@ -#include "module_base/math_polyint.h" +#include "source_base/math_polyint.h" #include "module_parameter/parameter.h" -#include "module_base/math_ylmreal.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp index b649d219b89..567939a4d06 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_onsite.cpp @@ -1,5 +1,5 @@ -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/onsite_projector.h" #include "module_parameter/parameter.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp index 3273584050c..9c31fb61195 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_func_us.cpp @@ -1,8 +1,8 @@ -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" #include "module_parameter/parameter.h" -#include "module_base/math_polyint.h" -#include "module_base/math_ylmreal.h" -#include "module_base/timer.h" +#include "source_base/math_polyint.h" +#include "source_base/math_ylmreal.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/nonlocal_maths.hpp" #include "stress_pw.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp b/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp index 98cb66b2dcc..6e0c94fb2c5 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/stress_pw.cpp @@ -1,6 +1,6 @@ #include "stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/output_log.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp index c751b91cab8..8ade7343a88 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.cpp @@ -1,13 +1,13 @@ -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include "structure_factor.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_bspline.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/libm/libm.h" +#include "source_base/math_bspline.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/libm/libm.h" #ifdef _OPENMP diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h index 2f3e1931c8c..8cb03913e8d 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor.h @@ -1,7 +1,7 @@ #ifndef PLANEWAVE_H #define PLANEWAVE_H -#include "module_base/complexmatrix.h" +#include "source_base/complexmatrix.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp b/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp index bca92ac1cf0..17f0977e441 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp +++ b/source/module_hamilt_pw/hamilt_pwdft/structure_factor_k.cpp @@ -1,8 +1,8 @@ -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/kernels/wf_op.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "structure_factor.h" std::complex* Structure_Factor::get_sk(const int ik, const int it, diff --git a/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt b/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt index 96f47a53f3a..a9e185b3ef7 100644 --- a/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt +++ b/source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt @@ -7,19 +7,19 @@ AddTest( TARGET pwdft_soc LIBS parameter ${math_libs} SOURCES soc_test.cpp ../soc.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_function.cpp - ../../../module_base/global_file.cpp - ../../../module_base/tool_quit.cpp - ../../../module_base/global_variable.cpp - ../../../module_base/global_file.cpp - ../../../module_base/memory.cpp - ../../../module_base/timer.cpp - ../../../module_base/blas_connector_base.cpp ../../../module_base/blas_connector_vector.cpp ../../../module_base/blas_connector_matrix.cpp - ../../../module_base/parallel_global.cpp - ../../../module_base/parallel_comm.cpp - ../../../module_base/parallel_common.cpp - ../../../module_base/parallel_reduce.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_function.cpp + ../../../source_base/global_file.cpp + ../../../source_base/tool_quit.cpp + ../../../source_base/global_variable.cpp + ../../../source_base/global_file.cpp + ../../../source_base/memory.cpp + ../../../source_base/timer.cpp + ../../../source_base/blas_connector_base.cpp ../../../source_base/blas_connector_vector.cpp ../../../source_base/blas_connector_matrix.cpp + ../../../source_base/parallel_global.cpp + ../../../source_base/parallel_comm.cpp + ../../../source_base/parallel_common.cpp + ../../../source_base/parallel_reduce.cpp ) AddTest( diff --git a/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp b/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp index 4bf6033477b..fac4e7f8670 100644 --- a/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.cpp @@ -1,5 +1,5 @@ #include "hamilt_sdft_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "kernels/hpsi_norm_op.h" namespace hamilt diff --git a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp index b75da7900c8..a2227cf767e 100644 --- a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.cpp @@ -1,6 +1,6 @@ #include "hpsi_norm_op.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h index b422916ae8a..1d6bff3eb66 100644 --- a/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h +++ b/source/module_hamilt_pw/hamilt_stodft/kernels/hpsi_norm_op.h @@ -1,7 +1,7 @@ #ifndef HPSI_NORM_OP_H #define HPSI_NORM_OP_H #include -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" namespace hamilt { template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp index 9facef1ddf2..06a591c2caa 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_che.cpp @@ -1,8 +1,8 @@ #include "sto_che.h" -#include "module_base/blas_connector.h" -#include "module_base/module_device/device.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/blas_connector.h" +#include "source_base/module_device/device.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_container/ATen/kernels/blas.h" template StoChe::~StoChe() diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_che.h b/source/module_hamilt_pw/hamilt_stodft/sto_che.h index e57dfb5e78d..aef324a9fd5 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_che.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_che.h @@ -1,8 +1,8 @@ #ifndef STO_CHE_H #define STO_CHE_H -#include "module_base/math_chebyshev.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/math_chebyshev.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_container/ATen/kernels/blas.h" template class StoChe diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp index 55aee269fc2..561cea20ecb 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_dos.cpp @@ -1,7 +1,7 @@ #include "sto_dos.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_parameter/parameter.h" #include "sto_tool.h" template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp index 77c6b97685e..2a4e0dff4ea 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_elecond.cpp @@ -1,12 +1,12 @@ #include "sto_elecond.h" -#include "module_base/complexmatrix.h" -#include "module_base/constants.h" -#include "module_base/memory.h" -#include "module_base/module_container/ATen/tensor.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/constants.h" +#include "source_base/memory.h" +#include "source_base/module_container/ATen/tensor.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_parameter/parameter.h" #include "sto_tool.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp index cf127b029d9..e3eabe5c8d3 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_forces.cpp @@ -1,6 +1,6 @@ #include "sto_forces.h" -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_elecstate/elecstate.h" #include "module_elecstate/module_pot/efield.h" @@ -11,9 +11,9 @@ #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" // new -#include "module_base/math_integral.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" template diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp index 47519d787fa..dc77a83a456 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_iter.cpp @@ -1,11 +1,11 @@ #include "sto_iter.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/para_gemm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/para_gemm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" #include "module_elecstate/kernels/elecstate_op.h" #include "module_elecstate/occupy.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_iter.h b/source/module_hamilt_pw/hamilt_stodft/sto_iter.h index 9953cfcd3b2..4f2f389073e 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_iter.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_iter.h @@ -1,6 +1,6 @@ #ifndef STO_ITER_H #define STO_ITER_H -#include "module_base/math_chebyshev.h" +#include "source_base/math_chebyshev.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp index 033a94159dc..414284f2157 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_stress_pw.cpp @@ -1,6 +1,6 @@ #include "sto_stress_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/fs_kin_tools.h" #include "module_hamilt_pw/hamilt_pwdft/fs_nonlocal_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp index 2f99ef0e819..f3d9461462f 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_tool.cpp @@ -1,8 +1,8 @@ #include "sto_tool.h" -#include "module_base/math_chebyshev.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" +#include "source_base/math_chebyshev.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_tool.h b/source/module_hamilt_pw/hamilt_stodft/sto_tool.h index 0e9fe1d41de..a6ee245420a 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_tool.h +++ b/source/module_hamilt_pw/hamilt_stodft/sto_tool.h @@ -3,7 +3,7 @@ #include "module_cell/klist.h" #include "module_hamilt_pw/hamilt_stodft/hamilt_sdft_pw.h" #include "module_hamilt_pw/hamilt_stodft/sto_wf.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include "module_psi/psi.h" /** diff --git a/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp b/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp index b00564f1ef9..22ab9477520 100644 --- a/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp +++ b/source/module_hamilt_pw/hamilt_stodft/sto_wf.cpp @@ -1,13 +1,13 @@ #include "sto_wf.h" -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_parameter/parameter.h" #include #include //---------Temporary------------------------------------ -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //------------------------------------------------------ diff --git a/source/module_io/berryphase.cpp b/source/module_io/berryphase.cpp index 9efda5a09e9..aef84a32476 100644 --- a/source/module_io/berryphase.cpp +++ b/source/module_io/berryphase.cpp @@ -215,7 +215,7 @@ void berryphase::set_kpoints(const K_Vectors& kv, const int direction) } } -#include "../module_base/complexmatrix.h" +#include "../source_base/complexmatrix.h" double berryphase::stringPhase(const UnitCell& ucell, int index_str, int nbands, diff --git a/source/module_io/bessel_basis.cpp b/source/module_io/bessel_basis.cpp index 07a36193027..57fa1b1c829 100644 --- a/source/module_io/bessel_basis.cpp +++ b/source/module_io/bessel_basis.cpp @@ -1,10 +1,10 @@ #include "bessel_basis.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include diff --git a/source/module_io/bessel_basis.h b/source/module_io/bessel_basis.h index cf4c609b6e6..fe0dc2c14b8 100644 --- a/source/module_io/bessel_basis.h +++ b/source/module_io/bessel_basis.h @@ -5,9 +5,9 @@ //========================================================== #ifndef BESSEL_BASIS_H #define BESSEL_BASIS_H -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" -#include "../module_base/realarray.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" +#include "../source_base/realarray.h" #include "../module_cell/unitcell.h" diff --git a/source/module_io/cal_dos.cpp b/source/module_io/cal_dos.cpp index e9cf1b64cc1..8b252d13f69 100644 --- a/source/module_io/cal_dos.cpp +++ b/source/module_io/cal_dos.cpp @@ -1,9 +1,9 @@ #include "cal_dos.h" -#include "module_base/constants.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/constants.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" void ModuleIO::prepare_dos(std::ofstream& ofs_running, diff --git a/source/module_io/cal_dos.h b/source/module_io/cal_dos.h index 2f6c94f4de7..83327acf93f 100644 --- a/source/module_io/cal_dos.h +++ b/source/module_io/cal_dos.h @@ -2,7 +2,7 @@ #define DOS_H #include -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_elecstate/fp_energy.h" namespace ModuleIO diff --git a/source/module_io/cal_mlkedf_descriptors.h b/source/module_io/cal_mlkedf_descriptors.h index 97bec5e3101..b65892b33df 100644 --- a/source/module_io/cal_mlkedf_descriptors.h +++ b/source/module_io/cal_mlkedf_descriptors.h @@ -2,7 +2,7 @@ #define CAL_MLKEDF_DESCRIPTORS_H #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/cal_pLpR.cpp b/source/module_io/cal_pLpR.cpp index 095e6f48a7c..b0033bee151 100644 --- a/source/module_io/cal_pLpR.cpp +++ b/source/module_io/cal_pLpR.cpp @@ -6,14 +6,14 @@ #include #include #include "module_cell/unitcell.h" -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_parameter/parameter.h" #include "module_io/cal_pLpR.h" -#include "module_base/formatter.h" -#include "module_base/parallel_common.h" +#include "source_base/formatter.h" +#include "source_base/parallel_common.h" /** * * FIXME: the following part will be transfered to TwoCenterIntegrator soon diff --git a/source/module_io/cal_pdos_gamma.cpp b/source/module_io/cal_pdos_gamma.cpp index 2a12c7f42af..0ef2defdc0b 100644 --- a/source/module_io/cal_pdos_gamma.cpp +++ b/source/module_io/cal_pdos_gamma.cpp @@ -1,11 +1,11 @@ #include "cal_pdos_gamma.h" -#include "module_base/parallel_reduce.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" #include "write_orb_info.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/cal_pdos_gamma.h b/source/module_io/cal_pdos_gamma.h index 039f131614d..46f19c2c713 100644 --- a/source/module_io/cal_pdos_gamma.h +++ b/source/module_io/cal_pdos_gamma.h @@ -1,7 +1,7 @@ #ifndef CAL_PDOS_GAMMA_H #define CAL_PDOS_GAMMA_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/cal_pdos_multik.cpp b/source/module_io/cal_pdos_multik.cpp index 81bcae899a4..d37d187dab1 100644 --- a/source/module_io/cal_pdos_multik.cpp +++ b/source/module_io/cal_pdos_multik.cpp @@ -1,11 +1,11 @@ #include "cal_pdos_multik.h" -#include "module_base/parallel_reduce.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" #include "write_orb_info.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/cal_pdos_multik.h b/source/module_io/cal_pdos_multik.h index d650efbb594..045569f9d37 100644 --- a/source/module_io/cal_pdos_multik.h +++ b/source/module_io/cal_pdos_multik.h @@ -1,7 +1,7 @@ #ifndef CAL_PDOS_MULTIK_H #define CAL_PDOS_MULTIK_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/cal_r_overlap_R.cpp b/source/module_io/cal_r_overlap_R.cpp index d2eea5e5a2f..a1f4e65530b 100644 --- a/source/module_io/cal_r_overlap_R.cpp +++ b/source/module_io/cal_r_overlap_R.cpp @@ -1,8 +1,8 @@ #include "cal_r_overlap_R.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/cal_r_overlap_R.h b/source/module_io/cal_r_overlap_R.h index a40ec30ed2c..fb7944efeb0 100644 --- a/source/module_io/cal_r_overlap_R.h +++ b/source/module_io/cal_r_overlap_R.h @@ -1,10 +1,10 @@ #ifndef CAL_R_OVERLAP_R_H #define CAL_R_OVERLAP_R_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/cal_test.cpp b/source/module_io/cal_test.cpp index b41c38a2bac..f43f8731e82 100644 --- a/source/module_io/cal_test.cpp +++ b/source/module_io/cal_test.cpp @@ -1,10 +1,10 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" #include "cal_test.h" double Cal_Test::mporter=0.0; diff --git a/source/module_io/cif_io.cpp b/source/module_io/cif_io.cpp index 3f3e67a34a1..8b69a04ac37 100644 --- a/source/module_io/cif_io.cpp +++ b/source/module_io/cif_io.cpp @@ -2,13 +2,13 @@ #include #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_io/cif_io.h" #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif double deg2rad(double deg) { return deg * M_PI / 180.0; } diff --git a/source/module_io/csr_reader.cpp b/source/module_io/csr_reader.cpp index 9c5ce359c15..160cb78a611 100644 --- a/source/module_io/csr_reader.cpp +++ b/source/module_io/csr_reader.cpp @@ -1,6 +1,6 @@ #include "csr_reader.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/fR_overlap.cpp b/source/module_io/fR_overlap.cpp index 8f54ba8d97f..f4049d90901 100644 --- a/source/module_io/fR_overlap.cpp +++ b/source/module_io/fR_overlap.cpp @@ -1,10 +1,10 @@ #ifdef __LCAO #include "fR_overlap.h" #include "module_basis/module_ao/ORB_read.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/math_integral.h" -#include "module_base/blas_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/math_integral.h" +#include "source_base/blas_connector.h" template FR_overlap::FR_overlap() diff --git a/source/module_io/fR_overlap.h b/source/module_io/fR_overlap.h index c89d2a4bb0c..bcd82789e43 100644 --- a/source/module_io/fR_overlap.h +++ b/source/module_io/fR_overlap.h @@ -7,7 +7,7 @@ #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" -#include "module_base/math_lebedev_laikov.h" +#include "source_base/math_lebedev_laikov.h" template diff --git a/source/module_io/file_reader.cpp b/source/module_io/file_reader.cpp index fd7a1e18b5d..5f24150518d 100644 --- a/source/module_io/file_reader.cpp +++ b/source/module_io/file_reader.cpp @@ -1,6 +1,6 @@ #include "file_reader.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/filename.cpp b/source/module_io/filename.cpp index 8c3d86fa9db..39c5da63156 100644 --- a/source/module_io/filename.cpp +++ b/source/module_io/filename.cpp @@ -1,6 +1,6 @@ #include #include "filename.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/get_pchg_lcao.cpp b/source/module_io/get_pchg_lcao.cpp index 6768ef73002..721f9ea199f 100644 --- a/source/module_io/get_pchg_lcao.cpp +++ b/source/module_io/get_pchg_lcao.cpp @@ -1,10 +1,10 @@ #include "get_pchg_lcao.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/scalapack_connector.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_io/get_pchg_lcao.h b/source/module_io/get_pchg_lcao.h index 99b4a38d7a3..3ff6ad5a621 100644 --- a/source/module_io/get_pchg_lcao.h +++ b/source/module_io/get_pchg_lcao.h @@ -9,8 +9,8 @@ #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" #include "module_psi/psi.h" -#include -#include +#include +#include #include #include diff --git a/source/module_io/get_pchg_pw.h b/source/module_io/get_pchg_pw.h index d0bb6caa9e8..1e550962dc0 100644 --- a/source/module_io/get_pchg_pw.h +++ b/source/module_io/get_pchg_pw.h @@ -2,8 +2,8 @@ #define GET_PCHG_PW_H #include "cube_io.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/get_wf_lcao.cpp b/source/module_io/get_wf_lcao.cpp index 5403d7c0196..52a02bbd606 100644 --- a/source/module_io/get_wf_lcao.cpp +++ b/source/module_io/get_wf_lcao.cpp @@ -1,9 +1,9 @@ #include "get_wf_lcao.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/cube_io.h" #include "module_io/write_wfc_pw.h" diff --git a/source/module_io/get_wf_pw.h b/source/module_io/get_wf_pw.h index edeb78fccf1..c463b9874a3 100644 --- a/source/module_io/get_wf_pw.h +++ b/source/module_io/get_wf_pw.h @@ -2,8 +2,8 @@ #define GET_WF_PW_H #include "cube_io.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/input_conv.cpp b/source/module_io/input_conv.cpp index 1ccaaf8f2bf..487d6fcb9cb 100644 --- a/source/module_io/input_conv.cpp +++ b/source/module_io/input_conv.cpp @@ -1,7 +1,7 @@ #include "module_io/input_conv.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/unitcell.h" #include "module_elecstate/occupy.h" @@ -34,8 +34,8 @@ #include "source_hsolver/diago_elpa_native.h" #endif -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" diff --git a/source/module_io/input_conv.h b/source/module_io/input_conv.h index bbb51df101e..d60cc59780d 100644 --- a/source/module_io/input_conv.h +++ b/source/module_io/input_conv.h @@ -5,8 +5,8 @@ #ifndef INPUT_CONVERT_H #define INPUT_CONVERT_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_io/io_dmk.cpp b/source/module_io/io_dmk.cpp index 69bbd7a4b3d..a52971e1a21 100644 --- a/source/module_io/io_dmk.cpp +++ b/source/module_io/io_dmk.cpp @@ -1,8 +1,8 @@ #include "module_io/io_dmk.h" -#include "module_base/parallel_common.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" /* diff --git a/source/module_io/io_dmk.h b/source/module_io/io_dmk.h index df24e9c587b..0e7d08df749 100644 --- a/source/module_io/io_dmk.h +++ b/source/module_io/io_dmk.h @@ -1,7 +1,7 @@ #ifndef DM_IO_H #define DM_IO_H -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_cell/unitcell.h" #include diff --git a/source/module_io/io_npz.cpp b/source/module_io/io_npz.cpp index 07324455547..3d3f80dff43 100644 --- a/source/module_io/io_npz.cpp +++ b/source/module_io/io_npz.cpp @@ -2,7 +2,7 @@ #include "io_npz.h" -#include "module_base/element_name.h" +#include "source_base/element_name.h" #include "module_parameter/parameter.h" #ifdef __MPI diff --git a/source/module_io/json_output/general_info.cpp b/source/module_io/json_output/general_info.cpp index c6285d9000e..c57a9c5746d 100644 --- a/source/module_io/json_output/general_info.cpp +++ b/source/module_io/json_output/general_info.cpp @@ -2,7 +2,7 @@ #include "../para_json.h" #include "abacusjson.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "source_main/version.h" // Add json objects to gener_info diff --git a/source/module_io/json_output/output_info.h b/source/module_io/json_output/output_info.h index 0be42549223..149713faf38 100644 --- a/source/module_io/json_output/output_info.h +++ b/source/module_io/json_output/output_info.h @@ -4,7 +4,7 @@ #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/atom_spec.h" #include "module_cell/unitcell.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" /** diff --git a/source/module_io/nscf_band.cpp b/source/module_io/nscf_band.cpp index e824b4ce840..d45e067d3e7 100644 --- a/source/module_io/nscf_band.cpp +++ b/source/module_io/nscf_band.cpp @@ -1,9 +1,9 @@ #include "nscf_band.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/formatter.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/formatter.h" #ifdef __MPI #include diff --git a/source/module_io/nscf_band.h b/source/module_io/nscf_band.h index d12b063f085..dba25f0288f 100644 --- a/source/module_io/nscf_band.h +++ b/source/module_io/nscf_band.h @@ -1,6 +1,6 @@ #ifndef NSCF_BAND_H #define NSCF_BAND_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/nscf_fermi_surf.cpp b/source/module_io/nscf_fermi_surf.cpp index ab7be76d8d5..7c8b0ad3375 100644 --- a/source/module_io/nscf_fermi_surf.cpp +++ b/source/module_io/nscf_fermi_surf.cpp @@ -1,8 +1,8 @@ #include "nscf_fermi_surf.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" #ifdef __MPI #include diff --git a/source/module_io/nscf_fermi_surf.h b/source/module_io/nscf_fermi_surf.h index 6dd879fa29d..c7153f2064e 100644 --- a/source/module_io/nscf_fermi_surf.h +++ b/source/module_io/nscf_fermi_surf.h @@ -1,7 +1,7 @@ #ifndef NSCF_FERMI_SURF_H #define NSCF_FERMI_SURF_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/numerical_basis.cpp b/source/module_io/numerical_basis.cpp index 4eaff85250d..19f1830a0a2 100644 --- a/source/module_io/numerical_basis.cpp +++ b/source/module_io/numerical_basis.cpp @@ -1,13 +1,13 @@ #include "numerical_basis.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/intarray.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/intarray.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/numerical_basis_jyjy.h" diff --git a/source/module_io/numerical_basis.h b/source/module_io/numerical_basis.h index 20547e6f411..eb24270942c 100644 --- a/source/module_io/numerical_basis.h +++ b/source/module_io/numerical_basis.h @@ -8,13 +8,13 @@ #include #include "bessel_basis.h" -#include "module_base/complexarray.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" diff --git a/source/module_io/numerical_basis_jyjy.cpp b/source/module_io/numerical_basis_jyjy.cpp index 8f504a9fab1..9eda45bbd90 100644 --- a/source/module_io/numerical_basis_jyjy.cpp +++ b/source/module_io/numerical_basis_jyjy.cpp @@ -1,7 +1,7 @@ #include "module_io/numerical_basis_jyjy.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include "module_basis/module_nao/two_center_integrator.h" namespace NumericalBasis diff --git a/source/module_io/numerical_basis_jyjy.h b/source/module_io/numerical_basis_jyjy.h index f29deba5f48..84296c57af7 100644 --- a/source/module_io/numerical_basis_jyjy.h +++ b/source/module_io/numerical_basis_jyjy.h @@ -1,9 +1,9 @@ #ifndef NUMERICAL_BASIS_JYJY_H #define NUMERICAL_BASIS_JYJY_H -#include "module_base/complexarray.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/complexarray.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_io/numerical_descriptor.cpp b/source/module_io/numerical_descriptor.cpp index 16236c63ea2..899bcb967d5 100644 --- a/source/module_io/numerical_descriptor.cpp +++ b/source/module_io/numerical_descriptor.cpp @@ -3,10 +3,10 @@ #include "module_parameter/parameter.h" #include "module_cell/module_symmetry/symmetry.h" #include "winput.h" -#include "module_base/math_ylmreal.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/math_ylmreal.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" Numerical_Descriptor::Numerical_Descriptor() { diff --git a/source/module_io/numerical_descriptor.h b/source/module_io/numerical_descriptor.h index 796d14706e6..57c77b7f310 100644 --- a/source/module_io/numerical_descriptor.h +++ b/source/module_io/numerical_descriptor.h @@ -4,10 +4,10 @@ //========================================================== #ifndef NUMERICAL_DESCRIPTOR_H #define NUMERICAL_DESCRIPTOR_H -#include "../module_base/global_function.h" -#include "../module_base/global_variable.h" -#include "../module_base/intarray.h" -#include "../module_base/complexmatrix.h" +#include "../source_base/global_function.h" +#include "../source_base/global_variable.h" +#include "../source_base/intarray.h" +#include "../source_base/complexmatrix.h" #include "bessel_basis.h" #include "module_psi/psi.h" //========================================================== diff --git a/source/module_io/orb_io.cpp b/source/module_io/orb_io.cpp index bb039a84d70..14f58db5d11 100644 --- a/source/module_io/orb_io.cpp +++ b/source/module_io/orb_io.cpp @@ -1,7 +1,7 @@ #include "module_io/orb_io.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif void ModuleIO::read_abacus_orb(std::ifstream& ifs, diff --git a/source/module_io/output.h b/source/module_io/output.h index 55f8dfb7e7a..909abc6e947 100644 --- a/source/module_io/output.h +++ b/source/module_io/output.h @@ -5,10 +5,10 @@ #ifndef OUTPUT_H #define OUTPUT_H -#include "../module_base/realarray.h" -#include "../module_base/matrix3.h" -#include "../module_base/complexmatrix.h" -#include "../module_base/matrix.h" +#include "../source_base/realarray.h" +#include "../source_base/matrix3.h" +#include "../source_base/complexmatrix.h" +#include "../source_base/matrix.h" class output { public: diff --git a/source/module_io/output_log.cpp b/source/module_io/output_log.cpp index dd79f5bd6a6..accdd1dc4ae 100644 --- a/source/module_io/output_log.cpp +++ b/source/module_io/output_log.cpp @@ -1,11 +1,11 @@ #include "output_log.h" #include "module_parameter/parameter.h" -#include "module_base/constants.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" #ifdef __MPI #include diff --git a/source/module_io/output_log.h b/source/module_io/output_log.h index 56108648638..836181e3df6 100644 --- a/source/module_io/output_log.h +++ b/source/module_io/output_log.h @@ -3,8 +3,8 @@ #include -#include "module_base/global_variable.h" -#include "module_base/matrix.h" +#include "source_base/global_variable.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace ModuleIO diff --git a/source/module_io/output_mulliken.cpp b/source/module_io/output_mulliken.cpp index 8a31995b403..59d5d226a81 100644 --- a/source/module_io/output_mulliken.cpp +++ b/source/module_io/output_mulliken.cpp @@ -1,10 +1,10 @@ #include "module_io/output_mulliken.h" #include "module_parameter/parameter.h" -#include "module_base/formatter.h" -#include "module_base/name_angular.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/name_angular.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_quit.h" #include diff --git a/source/module_io/output_mulliken.h b/source/module_io/output_mulliken.h index 42cbf389272..668eb3947d1 100644 --- a/source/module_io/output_mulliken.h +++ b/source/module_io/output_mulliken.h @@ -1,13 +1,13 @@ #ifndef OUTPUT_MULLIKEN_H #define OUTPUT_MULLIKEN_H -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/cell_index.h" #include "module_elecstate/elecstate_lcao.h" #include "module_io/output_dmk.h" #include "module_io/output_sk.h" -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.h" #include diff --git a/source/module_io/output_sk.cpp b/source/module_io/output_sk.cpp index c3f2359d191..4d6dc0eab1c 100644 --- a/source/module_io/output_sk.cpp +++ b/source/module_io/output_sk.cpp @@ -1,6 +1,6 @@ #include "output_sk.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/para_json.cpp b/source/module_io/para_json.cpp index 8f0fdedf868..526567429e6 100644 --- a/source/module_io/para_json.cpp +++ b/source/module_io/para_json.cpp @@ -1,7 +1,7 @@ #include "para_json.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #include diff --git a/source/module_io/print_info.cpp b/source/module_io/print_info.cpp index bed4863c89c..b93c6ea190d 100644 --- a/source/module_io/print_info.cpp +++ b/source/module_io/print_info.cpp @@ -1,6 +1,6 @@ #include "print_info.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/print_info.h b/source/module_io/print_info.h index a7bcb2a0cf5..4bdb6effdc2 100644 --- a/source/module_io/print_info.h +++ b/source/module_io/print_info.h @@ -5,7 +5,7 @@ #ifndef PRINT_INFO #define PRINT_INFO -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/read_input.cpp b/source/module_io/read_input.cpp index 14d64380108..9e47d93856b 100644 --- a/source/module_io/read_input.cpp +++ b/source/module_io/read_input.cpp @@ -8,12 +8,12 @@ #include #include #include -#include "module_base/formatter.h" -#include "module_base/global_file.h" -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" -#include "module_base/tool_title.h" -#include "module_base/module_device/device.h" +#include "source_base/formatter.h" +#include "source_base/global_file.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" +#include "source_base/tool_title.h" +#include "source_base/module_device/device.h" namespace ModuleIO { diff --git a/source/module_io/read_input_item_deepks.cpp b/source/module_io/read_input_item_deepks.cpp index c60976931aa..39c8d845ba4 100644 --- a/source/module_io/read_input_item_deepks.cpp +++ b/source/module_io/read_input_item_deepks.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_elec_stru.cpp b/source/module_io/read_input_item_elec_stru.cpp index acae10a74a2..8daabfdc0e9 100644 --- a/source/module_io/read_input_item_elec_stru.cpp +++ b/source/module_io/read_input_item_elec_stru.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_exx_dftu.cpp b/source/module_io/read_input_item_exx_dftu.cpp index ea9a9c39271..d3d6dc853b2 100644 --- a/source/module_io/read_input_item_exx_dftu.cpp +++ b/source/module_io/read_input_item_exx_dftu.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_md.cpp b/source/module_io/read_input_item_md.cpp index 419a601e282..a49c1bd3e65 100644 --- a/source/module_io/read_input_item_md.cpp +++ b/source/module_io/read_input_item_md.cpp @@ -1,4 +1,4 @@ -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_model.cpp b/source/module_io/read_input_item_model.cpp index 30549e5d6f8..aa78e844009 100644 --- a/source/module_io/read_input_item_model.cpp +++ b/source/module_io/read_input_item_model.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_ofdft.cpp b/source/module_io/read_input_item_ofdft.cpp index 3ed59bdb611..9f729d2793f 100644 --- a/source/module_io/read_input_item_ofdft.cpp +++ b/source/module_io/read_input_item_ofdft.cpp @@ -1,6 +1,6 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_other.cpp b/source/module_io/read_input_item_other.cpp index f4077b3582e..74b1e25221e 100644 --- a/source/module_io/read_input_item_other.cpp +++ b/source/module_io/read_input_item_other.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_output.cpp b/source/module_io/read_input_item_output.cpp index 3d2f15dc646..10947eaf5d1 100644 --- a/source/module_io/read_input_item_output.cpp +++ b/source/module_io/read_input_item_output.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_postprocess.cpp b/source/module_io/read_input_item_postprocess.cpp index a6ec81238dc..f2ef9bd73b8 100644 --- a/source/module_io/read_input_item_postprocess.cpp +++ b/source/module_io/read_input_item_postprocess.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" namespace ModuleIO diff --git a/source/module_io/read_input_item_relax.cpp b/source/module_io/read_input_item_relax.cpp index 80c012b6ff8..e14ad0e5d76 100644 --- a/source/module_io/read_input_item_relax.cpp +++ b/source/module_io/read_input_item_relax.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_sdft.cpp b/source/module_io/read_input_item_sdft.cpp index 2f532680b13..d073084a2e1 100644 --- a/source/module_io/read_input_item_sdft.cpp +++ b/source/module_io/read_input_item_sdft.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_item_system.cpp b/source/module_io/read_input_item_system.cpp index 797a94ee219..d754f98465d 100644 --- a/source/module_io/read_input_item_system.cpp +++ b/source/module_io/read_input_item_system.cpp @@ -1,8 +1,8 @@ -#include "module_base/global_function.h" -#include "module_base/tool_quit.h" +#include "source_base/global_function.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include #include diff --git a/source/module_io/read_input_item_tddft.cpp b/source/module_io/read_input_item_tddft.cpp index 9687af495d9..5a3ffe32141 100644 --- a/source/module_io/read_input_item_tddft.cpp +++ b/source/module_io/read_input_item_tddft.cpp @@ -1,5 +1,5 @@ -#include "module_base/constants.h" -#include "module_base/tool_quit.h" +#include "source_base/constants.h" +#include "source_base/tool_quit.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_input_tool.h b/source/module_io/read_input_tool.h index 649b0044e5e..d37967742f6 100644 --- a/source/module_io/read_input_tool.h +++ b/source/module_io/read_input_tool.h @@ -2,7 +2,7 @@ #include #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif #define strvalue item.str_values[0] diff --git a/source/module_io/read_set_globalv.cpp b/source/module_io/read_set_globalv.cpp index 0a2ece48666..d8318038839 100644 --- a/source/module_io/read_set_globalv.cpp +++ b/source/module_io/read_set_globalv.cpp @@ -1,5 +1,5 @@ -#include "module_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "read_input.h" #include "read_input_tool.h" diff --git a/source/module_io/read_wf2rho_pw.cpp b/source/module_io/read_wf2rho_pw.cpp index c132d26fd67..ca04fb11a89 100644 --- a/source/module_io/read_wf2rho_pw.cpp +++ b/source/module_io/read_wf2rho_pw.cpp @@ -1,7 +1,7 @@ #include "read_wf2rho_pw.h" #include "read_wfc_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/read_wfc_lcao.cpp b/source/module_io/read_wfc_lcao.cpp index 00d62790239..3cb255574f1 100644 --- a/source/module_io/read_wfc_lcao.cpp +++ b/source/module_io/read_wfc_lcao.cpp @@ -1,7 +1,7 @@ #include "module_io/read_wfc_lcao.h" -#include "module_base/formatter.h" -#include "module_base/tool_quit.h" +#include "source_base/formatter.h" +#include "source_base/tool_quit.h" #include #include @@ -9,7 +9,7 @@ #include #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif /* diff --git a/source/module_io/read_wfc_lcao.h b/source/module_io/read_wfc_lcao.h index 577b0fcff9c..47301f36245 100644 --- a/source/module_io/read_wfc_lcao.h +++ b/source/module_io/read_wfc_lcao.h @@ -1,14 +1,14 @@ #ifndef READ_WFC_LCAO_H #define READ_WFC_LCAO_H -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include #include #include #ifdef __MPI -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #endif /** diff --git a/source/module_io/read_wfc_nao.cpp b/source/module_io/read_wfc_nao.cpp index 308b9e2a1b0..40ec2942950 100644 --- a/source/module_io/read_wfc_nao.cpp +++ b/source/module_io/read_wfc_nao.cpp @@ -1,11 +1,11 @@ #include "read_wfc_nao.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_io/write_wfc_nao.h" #include "write_wfc_nao.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_io/filename.h" void ModuleIO::read_wfc_nao_one_data(std::ifstream& ifs, double& data) diff --git a/source/module_io/read_wfc_pw.cpp b/source/module_io/read_wfc_pw.cpp index 837023637cd..02419f0cada 100644 --- a/source/module_io/read_wfc_pw.cpp +++ b/source/module_io/read_wfc_pw.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "binstream.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_global.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" void ModuleIO::read_wfc_pw(const std::string& filename, const ModulePW::PW_Basis_K* pw_wfc, diff --git a/source/module_io/restart.cpp b/source/module_io/restart.cpp index fe8c143b05d..1841f3bb376 100644 --- a/source/module_io/restart.cpp +++ b/source/module_io/restart.cpp @@ -6,7 +6,7 @@ #include #include -#include "module_base/global_function.h" +#include "source_base/global_function.h" void Restart::write_file1(const std::string &file_name, const void*const ptr, const size_t size) const { diff --git a/source/module_io/restart.h b/source/module_io/restart.h index 16bae1fa0f2..d3cf0cf2df2 100644 --- a/source/module_io/restart.h +++ b/source/module_io/restart.h @@ -2,8 +2,8 @@ #define RESTART_H #include -#include "module_base/global_function.h" -#include "module_base/abfs-vector3_order.h" +#include "source_base/global_function.h" +#include "source_base/abfs-vector3_order.h" #ifdef __EXX #include #endif diff --git a/source/module_io/restart_exx_csr.h b/source/module_io/restart_exx_csr.h index 1eab69f4ef0..fb028d059f0 100644 --- a/source/module_io/restart_exx_csr.h +++ b/source/module_io/restart_exx_csr.h @@ -1,5 +1,5 @@ #pragma once -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include "module_cell/unitcell.h" #include "module_ri/serialization_cereal.h" #include diff --git a/source/module_io/rhog_io.cpp b/source/module_io/rhog_io.cpp index f01b78fdcb7..cb099c82dda 100644 --- a/source/module_io/rhog_io.cpp +++ b/source/module_io/rhog_io.cpp @@ -1,10 +1,10 @@ #include "binstream.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_parameter/parameter.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" #include "rhog_io.h" #include #include diff --git a/source/module_io/single_R_io.cpp b/source/module_io/single_R_io.cpp index d49651b479d..cf096dcc012 100644 --- a/source/module_io/single_R_io.cpp +++ b/source/module_io/single_R_io.cpp @@ -1,8 +1,8 @@ #include "single_R_io.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" inline void write_data(std::ofstream& ofs, const double& data) { diff --git a/source/module_io/sparse_matrix.cpp b/source/module_io/sparse_matrix.cpp index 54a564ef983..779760430a4 100644 --- a/source/module_io/sparse_matrix.cpp +++ b/source/module_io/sparse_matrix.cpp @@ -3,7 +3,7 @@ #include #include -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" namespace ModuleIO { diff --git a/source/module_io/td_current_io.cpp b/source/module_io/td_current_io.cpp index f50cde9cafa..6af28f80b9d 100644 --- a/source/module_io/td_current_io.cpp +++ b/source/module_io/td_current_io.cpp @@ -1,12 +1,12 @@ #include "td_current_io.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/libm/libm.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/tool_threading.h" -#include "module_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/libm/libm.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/tool_threading.h" +#include "source_base/vector3.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_pot/H_TDDFT_pw.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" diff --git a/source/module_io/test/CMakeLists.txt b/source/module_io/test/CMakeLists.txt index 67032896b38..a5cb4a23f58 100644 --- a/source/module_io/test/CMakeLists.txt +++ b/source/module_io/test/CMakeLists.txt @@ -74,11 +74,11 @@ AddTest( TARGET MODULE_IO_single_R_test LIBS parameter ${math_libs} SOURCES single_R_io_test.cpp ../single_R_io.cpp - ../../module_base/global_variable.cpp - ../../module_base/parallel_reduce.cpp - ../../module_base/parallel_common.cpp - ../../module_base/parallel_global.cpp - ../../module_base/parallel_comm.cpp + ../../source_base/global_variable.cpp + ../../source_base/parallel_reduce.cpp + ../../source_base/parallel_common.cpp + ../../source_base/parallel_global.cpp + ../../source_base/parallel_comm.cpp ) AddTest( diff --git a/source/module_io/test/cal_dos_test.cpp b/source/module_io/test/cal_dos_test.cpp index 96173c9c256..ba73be40ec6 100644 --- a/source/module_io/test/cal_dos_test.cpp +++ b/source/module_io/test/cal_dos_test.cpp @@ -1,7 +1,7 @@ #include "gtest/gtest.h" #include "gmock/gmock.h" #include "module_io/cal_dos.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include #ifdef __MPI #include "mpi.h" diff --git a/source/module_io/test/cal_pLpR_test.cpp b/source/module_io/test/cal_pLpR_test.cpp index d9f9b92085e..629efc9a289 100644 --- a/source/module_io/test/cal_pLpR_test.cpp +++ b/source/module_io/test/cal_pLpR_test.cpp @@ -7,8 +7,8 @@ #include "module_io/cal_pLpR.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_basis/module_nao/radial_collection.h" -#include "module_base/spherical_bessel_transformer.h" -#include "module_base/ylm.h" +#include "source_base/spherical_bessel_transformer.h" +#include "source_base/ylm.h" #define DOUBLETHRESHOLD 1e-12 diff --git a/source/module_io/test/cif_io_test.cpp b/source/module_io/test/cif_io_test.cpp index b8f3ae4b749..7e6c3b7fae9 100644 --- a/source/module_io/test/cif_io_test.cpp +++ b/source/module_io/test/cif_io_test.cpp @@ -2,7 +2,7 @@ #include "module_io/cif_io.h" #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #ifdef __MPI diff --git a/source/module_io/test/dos_test.h b/source/module_io/test/dos_test.h index f814c7d7ce7..2f72303ea40 100644 --- a/source/module_io/test/dos_test.h +++ b/source/module_io/test/dos_test.h @@ -3,7 +3,7 @@ #include #include -#include"module_base/constants.h" +#include"source_base/constants.h" class DosPrepare { diff --git a/source/module_io/test/for_testing_klist.h b/source/module_io/test/for_testing_klist.h index 779bcb932b7..5ac8c1b4861 100644 --- a/source/module_io/test/for_testing_klist.h +++ b/source/module_io/test/for_testing_klist.h @@ -1,7 +1,7 @@ #ifndef FOR_TESTING_KLIST_H #define FOR_TESTING_KLIST_H -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_cell/atom_pseudo.h" #include "module_cell/atom_spec.h" diff --git a/source/module_io/test/io_dmk_test.cpp b/source/module_io/test/io_dmk_test.cpp index f7a4391b274..15b7323bd7d 100644 --- a/source/module_io/test/io_dmk_test.cpp +++ b/source/module_io/test/io_dmk_test.cpp @@ -3,12 +3,12 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "prepare_unitcell.h" #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_io/test/numerical_basis_test.cpp b/source/module_io/test/numerical_basis_test.cpp index c0e30e30faa..acbac630aab 100644 --- a/source/module_io/test/numerical_basis_test.cpp +++ b/source/module_io/test/numerical_basis_test.cpp @@ -1,6 +1,6 @@ -#include "module_base/math_sphbes.h" -#include "module_base/matrix3.h" -#include "module_base/vector3.h" +#include "source_base/math_sphbes.h" +#include "source_base/matrix3.h" +#include "source_base/vector3.h" #include "module_io/numerical_basis_jyjy.h" #include "gtest/gtest.h" diff --git a/source/module_io/test/orb_io_test.cpp b/source/module_io/test/orb_io_test.cpp index a5c9e1df9f9..a9621f6a81e 100644 --- a/source/module_io/test/orb_io_test.cpp +++ b/source/module_io/test/orb_io_test.cpp @@ -5,8 +5,8 @@ #include #endif -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" class OrbIOTest : public testing::Test { diff --git a/source/module_io/test/outputlog_test.cpp b/source/module_io/test/outputlog_test.cpp index 786f6017dfb..3e05202b44d 100644 --- a/source/module_io/test/outputlog_test.cpp +++ b/source/module_io/test/outputlog_test.cpp @@ -8,8 +8,8 @@ #include #include -#include "module_base/constants.h" -#include "module_base/global_variable.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" #include "module_io/output_log.h" #ifdef __MPI diff --git a/source/module_io/test/prepare_unitcell.h b/source/module_io/test/prepare_unitcell.h index 8e43ec42230..e05792a96dc 100644 --- a/source/module_io/test/prepare_unitcell.h +++ b/source/module_io/test/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_io/test/read_input_ptest.cpp b/source/module_io/test/read_input_ptest.cpp index 2ec4bdce1d8..14051da4620 100644 --- a/source/module_io/test/read_input_ptest.cpp +++ b/source/module_io/test/read_input_ptest.cpp @@ -3,12 +3,12 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_io/read_input.h" #include "module_parameter/parameter.h" // #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" // #endif diff --git a/source/module_io/test/read_wf2rho_pw_test.cpp b/source/module_io/test/read_wf2rho_pw_test.cpp index e8e0214236f..3235f3cd672 100644 --- a/source/module_io/test/read_wf2rho_pw_test.cpp +++ b/source/module_io/test/read_wf2rho_pw_test.cpp @@ -17,7 +17,7 @@ #include "module_psi/psi.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif diff --git a/source/module_io/test/read_wfc_pw_test.cpp b/source/module_io/test/read_wfc_pw_test.cpp index 2c17de3a15e..caf4a090b11 100644 --- a/source/module_io/test/read_wfc_pw_test.cpp +++ b/source/module_io/test/read_wfc_pw_test.cpp @@ -6,7 +6,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_basis/module_pw/test/test_tool.h" #include "mpi.h" #endif diff --git a/source/module_io/test/single_R_io_test.cpp b/source/module_io/test/single_R_io_test.cpp index 7b142fa25f8..54c53a54a96 100644 --- a/source/module_io/test/single_R_io_test.cpp +++ b/source/module_io/test/single_R_io_test.cpp @@ -4,7 +4,7 @@ #include "module_parameter/parameter.h" #undef private #include "module_io/single_R_io.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" /************************************************ * unit test of output_single_R diff --git a/source/module_io/test/write_istate_info_test.cpp b/source/module_io/test/write_istate_info_test.cpp index e17fb2c72ec..6a2ea58eedf 100644 --- a/source/module_io/test/write_istate_info_test.cpp +++ b/source/module_io/test/write_istate_info_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #define private public #include "module_parameter/parameter.h" @@ -7,7 +7,7 @@ #include "gtest/gtest.h" #include #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_cell/parallel_kpoints.h" #include "mpi.h" #endif diff --git a/source/module_io/test/write_wfc_nao_test.cpp b/source/module_io/test/write_wfc_nao_test.cpp index 844b23883ff..a564169e05e 100644 --- a/source/module_io/test/write_wfc_nao_test.cpp +++ b/source/module_io/test/write_wfc_nao_test.cpp @@ -5,8 +5,8 @@ #include "module_parameter/parameter.h" #undef private #include "../binstream.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/module_io/test_serial/CMakeLists.txt b/source/module_io/test_serial/CMakeLists.txt index 807a32c8f06..be54c7bf82a 100644 --- a/source/module_io/test_serial/CMakeLists.txt +++ b/source/module_io/test_serial/CMakeLists.txt @@ -28,8 +28,8 @@ AddTest( TARGET MODULE_IO_read_input_serial LIBS parameter ${math_libs} io_input_serial SOURCES read_input_test.cpp - ../../module_base/test/tool_quit_no_exit.cpp - ../../module_base/module_device/device.cpp + ../../source_base/test/tool_quit_no_exit.cpp + ../../source_base/module_device/device.cpp ) AddTest( diff --git a/source/module_io/test_serial/io_system_variable_test.cpp b/source/module_io/test_serial/io_system_variable_test.cpp index 499399a69d9..05de7baec10 100644 --- a/source/module_io/test_serial/io_system_variable_test.cpp +++ b/source/module_io/test_serial/io_system_variable_test.cpp @@ -5,7 +5,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" /************************************************ * unit test of read_input_test_item.cpp ***********************************************/ diff --git a/source/module_io/test_serial/prepare_unitcell.h b/source/module_io/test_serial/prepare_unitcell.h index 25005fcc504..0ae5df18d30 100644 --- a/source/module_io/test_serial/prepare_unitcell.h +++ b/source/module_io/test_serial/prepare_unitcell.h @@ -2,7 +2,7 @@ #define PREPARE_UNITCELL_H #include #include -#include "module_base/mathzone.h" +#include "source_base/mathzone.h" class UcellTestPrepare { diff --git a/source/module_io/test_serial/read_input_item_test.cpp b/source/module_io/test_serial/read_input_item_test.cpp index 863b1d0a9dd..edba8327c4e 100644 --- a/source/module_io/test_serial/read_input_item_test.cpp +++ b/source/module_io/test_serial/read_input_item_test.cpp @@ -5,7 +5,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" /************************************************ * unit test of read_input_test_item.cpp ***********************************************/ diff --git a/source/module_io/test_serial/read_input_test.cpp b/source/module_io/test_serial/read_input_test.cpp index d3c95d4149c..9a00f9c2785 100644 --- a/source/module_io/test_serial/read_input_test.cpp +++ b/source/module_io/test_serial/read_input_test.cpp @@ -1,6 +1,6 @@ #include "module_io/read_input.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include "gmock/gmock.h" diff --git a/source/module_io/test_serial/rho_io_test.cpp b/source/module_io/test_serial/rho_io_test.cpp index 339da2ae3f2..bb79bf4b91e 100644 --- a/source/module_io/test_serial/rho_io_test.cpp +++ b/source/module_io/test_serial/rho_io_test.cpp @@ -2,7 +2,7 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_io/cube_io.h" #include "prepare_unitcell.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" diff --git a/source/module_io/to_qo.h b/source/module_io/to_qo.h index ecbcf5b287b..3821f6c32b5 100644 --- a/source/module_io/to_qo.h +++ b/source/module_io/to_qo.h @@ -5,8 +5,8 @@ #include #include "module_cell/unitcell.h" #include "module_basis/module_nao/two_center_integrator.h" -#include "module_base/atom_in.h" -#include "module_base/vector3.h" +#include "source_base/atom_in.h" +#include "source_base/vector3.h" /* Quasiatomic Orbital (QO) transformation and analysis diff --git a/source/module_io/to_qo_kernel.cpp b/source/module_io/to_qo_kernel.cpp index 0b4008bc09e..4404f15c101 100644 --- a/source/module_io/to_qo_kernel.cpp +++ b/source/module_io/to_qo_kernel.cpp @@ -1,9 +1,9 @@ -#include "module_base/libm/libm.h" -#include "module_base/ylm.h" +#include "source_base/libm/libm.h" +#include "source_base/ylm.h" #include "module_basis/module_nao/two_center_integrator.h" #include "module_io/to_qo.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif // how define QO task, how create QO instance toQO::toQO(const std::string& qo_basis, diff --git a/source/module_io/to_qo_mpi.cpp b/source/module_io/to_qo_mpi.cpp index 52c198ba923..4de45c14474 100644 --- a/source/module_io/to_qo_mpi.cpp +++ b/source/module_io/to_qo_mpi.cpp @@ -1,6 +1,6 @@ #include "module_io/to_qo.h" #ifdef __MPI -#include "../module_base/parallel_common.h" +#include "../source_base/parallel_common.h" #endif void toQO::bcast_stdvector_ofvector3int(std::vector>& vec, diff --git a/source/module_io/to_qo_structures.cpp b/source/module_io/to_qo_structures.cpp index db598672d28..347197b14fd 100644 --- a/source/module_io/to_qo_structures.cpp +++ b/source/module_io/to_qo_structures.cpp @@ -1,6 +1,6 @@ #include "module_io/to_qo.h" #ifdef __MPI -#include "../module_base/parallel_common.h" +#include "../source_base/parallel_common.h" #endif void toQO::read_structures(const UnitCell* p_ucell, const std::vector>& kvecs_d, diff --git a/source/module_io/to_wannier90.cpp b/source/module_io/to_wannier90.cpp index beec8445266..2ee7b276dc9 100644 --- a/source/module_io/to_wannier90.cpp +++ b/source/module_io/to_wannier90.cpp @@ -1,10 +1,10 @@ #include "to_wannier90.h" #include "module_parameter/parameter.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" toWannier90::toWannier90() diff --git a/source/module_io/to_wannier90.h b/source/module_io/to_wannier90.h index 4d93bcb2f96..abd2c3abecb 100644 --- a/source/module_io/to_wannier90.h +++ b/source/module_io/to_wannier90.h @@ -8,17 +8,17 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" #include "module_psi/psi.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" class toWannier90 { diff --git a/source/module_io/to_wannier90_lcao.cpp b/source/module_io/to_wannier90_lcao.cpp index e55b19d8f55..e4ad647a4ac 100644 --- a/source/module_io/to_wannier90_lcao.cpp +++ b/source/module_io/to_wannier90_lcao.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "fR_overlap.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" -#include "module_base/scalapack_connector.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/module_hcontainer/atom_pair.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/to_wannier90_lcao.h b/source/module_io/to_wannier90_lcao.h index 547d1ef21ec..a812fd213b7 100644 --- a/source/module_io/to_wannier90_lcao.h +++ b/source/module_io/to_wannier90_lcao.h @@ -1,18 +1,18 @@ #ifndef TOWannier90_LCAO_H #define TOWannier90_LCAO_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_reduce.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_reduce.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" @@ -38,8 +38,8 @@ #ifdef __LCAO #include "fR_overlap.h" -#include "module_base/abfs-vector3_order.h" -#include "module_base/math_lebedev_laikov.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/math_lebedev_laikov.h" #include "module_hamilt_lcao/module_gint/grid_technique.h" #include "module_hamilt_lcao/module_hcontainer/hcontainer.h" diff --git a/source/module_io/to_wannier90_lcao_in_pw.cpp b/source/module_io/to_wannier90_lcao_in_pw.cpp index e0676714651..af7180b179e 100644 --- a/source/module_io/to_wannier90_lcao_in_pw.cpp +++ b/source/module_io/to_wannier90_lcao_in_pw.cpp @@ -2,11 +2,11 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" #include "binstream.h" #include "module_psi/psi_initializer_nao.h" diff --git a/source/module_io/to_wannier90_lcao_in_pw.h b/source/module_io/to_wannier90_lcao_in_pw.h index 16bccd20e38..b5bd1a81f53 100644 --- a/source/module_io/to_wannier90_lcao_in_pw.h +++ b/source/module_io/to_wannier90_lcao_in_pw.h @@ -1,17 +1,17 @@ #ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_TO_WANNIER90_LCAO_IN_PW_H #define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_TO_WANNIER90_LCAO_IN_PW_H -#include "module_base/abfs-vector3_order.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/to_wannier90_pw.cpp b/source/module_io/to_wannier90_pw.cpp index 1fa81a89aab..fe9354f7785 100644 --- a/source/module_io/to_wannier90_pw.cpp +++ b/source/module_io/to_wannier90_pw.cpp @@ -2,11 +2,11 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/math_integral.h" -#include "module_base/math_polyint.h" -#include "module_base/math_sphbes.h" -#include "module_base/math_ylmreal.h" -#include "module_base/parallel_reduce.h" +#include "source_base/math_integral.h" +#include "source_base/math_polyint.h" +#include "source_base/math_sphbes.h" +#include "source_base/math_ylmreal.h" +#include "source_base/parallel_reduce.h" #include "binstream.h" toWannier90_PW::toWannier90_PW( diff --git a/source/module_io/to_wannier90_pw.h b/source/module_io/to_wannier90_pw.h index f7f5768ff21..bc5abcbc42f 100644 --- a/source/module_io/to_wannier90_pw.h +++ b/source/module_io/to_wannier90_pw.h @@ -9,12 +9,12 @@ #include "to_wannier90.h" -#include "module_base/complexmatrix.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" #include "module_psi/psi.h" diff --git a/source/module_io/unk_overlap_lcao.cpp b/source/module_io/unk_overlap_lcao.cpp index 3f1806ab444..3017e869ee9 100644 --- a/source/module_io/unk_overlap_lcao.cpp +++ b/source/module_io/unk_overlap_lcao.cpp @@ -2,7 +2,7 @@ #include "module_parameter/parameter.h" #include "ctime" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/unk_overlap_lcao.h b/source/module_io/unk_overlap_lcao.h index 241ac3d7751..6ce1140e12d 100644 --- a/source/module_io/unk_overlap_lcao.h +++ b/source/module_io/unk_overlap_lcao.h @@ -1,9 +1,9 @@ #ifndef UNKOVERLAP_LCAO #define UNKOVERLAP_LCAO -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" -#include "module_base/ylm.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" +#include "source_base/ylm.h" #include "module_basis/module_ao/ORB_atomic_lm.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" diff --git a/source/module_io/unk_overlap_pw.h b/source/module_io/unk_overlap_pw.h index 351532f8920..4bf7dcd4ebf 100644 --- a/source/module_io/unk_overlap_pw.h +++ b/source/module_io/unk_overlap_pw.h @@ -6,11 +6,11 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_reduce.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_psi/psi.h" diff --git a/source/module_io/winput.cpp b/source/module_io/winput.cpp index 2b3a3f9d295..70e8343b44c 100644 --- a/source/module_io/winput.cpp +++ b/source/module_io/winput.cpp @@ -690,7 +690,7 @@ void winput::Print(const std::string& fn) return; } -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #ifdef __MPI void winput::Bcast() { diff --git a/source/module_io/write_HS.h b/source/module_io/write_HS.h index 1226f841a89..868e81db6ca 100644 --- a/source/module_io/write_HS.h +++ b/source/module_io/write_HS.h @@ -4,8 +4,8 @@ #include #include -//#include "module_base/global_function.h" -//#include "module_base/global_variable.h" +//#include "source_base/global_function.h" +//#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" // use Parallel_Orbitals diff --git a/source/module_io/write_HS.hpp b/source/module_io/write_HS.hpp index 7be1d23c525..aad753eabec 100644 --- a/source/module_io/write_HS.hpp +++ b/source/module_io/write_HS.hpp @@ -1,8 +1,8 @@ #include "write_HS.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/filename.h" // use filename_output function diff --git a/source/module_io/write_HS_R.cpp b/source/module_io/write_HS_R.cpp index 97a0fd4d3b3..90349de747d 100644 --- a/source/module_io/write_HS_R.cpp +++ b/source/module_io/write_HS_R.cpp @@ -1,7 +1,7 @@ #include "write_HS_R.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" #include "module_hamilt_lcao/hamilt_lcaodft/spar_dh.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_hsr.h" diff --git a/source/module_io/write_HS_R.h b/source/module_io/write_HS_R.h index 37ab95562d8..27b59566aeb 100644 --- a/source/module_io/write_HS_R.h +++ b/source/module_io/write_HS_R.h @@ -1,7 +1,7 @@ #ifndef WRITE_HS_R_H #define WRITE_HS_R_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_nao/two_center_bundle.h" #include "module_cell/klist.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/module_io/write_HS_sparse.cpp b/source/module_io/write_HS_sparse.cpp index 4b105e0e7c7..f6a6f264e86 100644 --- a/source/module_io/write_HS_sparse.cpp +++ b/source/module_io/write_HS_sparse.cpp @@ -1,8 +1,8 @@ #include "write_HS_sparse.h" #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/module_tddft/td_velocity.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "single_R_io.h" diff --git a/source/module_io/write_HS_sparse.h b/source/module_io/write_HS_sparse.h index b3e0a2a75ce..236f15e2bcd 100644 --- a/source/module_io/write_HS_sparse.h +++ b/source/module_io/write_HS_sparse.h @@ -1,8 +1,8 @@ #ifndef WRITE_HS_SPARSE_H #define WRITE_HS_SPARSE_H -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_HS_arrays.hpp" diff --git a/source/module_io/write_cube.cpp b/source/module_io/write_cube.cpp index acff92eac1f..3427d444cdf 100644 --- a/source/module_io/write_cube.cpp +++ b/source/module_io/write_cube.cpp @@ -1,5 +1,5 @@ -#include "module_base/element_name.h" -#include "module_base/parallel_comm.h" +#include "source_base/element_name.h" +#include "source_base/parallel_comm.h" #include "module_hamilt_pw/hamilt_pwdft/parallel_grid.h" #include "module_io/cube_io.h" #include "module_parameter/parameter.h" diff --git a/source/module_io/write_dipole.cpp b/source/module_io/write_dipole.cpp index e1a7c0fa4d4..9b62038fb04 100644 --- a/source/module_io/write_dipole.cpp +++ b/source/module_io/write_dipole.cpp @@ -1,4 +1,4 @@ -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_lcao/module_tddft/evolve_elec.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_io/write_dos_lcao.h b/source/module_io/write_dos_lcao.h index 406e0eb871f..8a9d4ef5118 100644 --- a/source/module_io/write_dos_lcao.h +++ b/source/module_io/write_dos_lcao.h @@ -1,7 +1,7 @@ #ifndef WRITE_DOS_LCAO_H #define WRITE_DOS_LCAO_H -#include "module_base/matrix.h" // use matrix +#include "source_base/matrix.h" // use matrix #include "module_cell/klist.h" // use K_Vectors #include "module_psi/psi.h" // use psi::Psi #include "module_hamilt_general/hamilt.h" // use hamilt::Hamilt diff --git a/source/module_io/write_dos_pw.cpp b/source/module_io/write_dos_pw.cpp index 76a9bc60de3..8560455c8d3 100644 --- a/source/module_io/write_dos_pw.cpp +++ b/source/module_io/write_dos_pw.cpp @@ -1,7 +1,7 @@ #include "write_dos_pw.h" #include "cal_dos.h" #include "nscf_fermi_surf.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" void ModuleIO::write_dos_pw( diff --git a/source/module_io/write_dos_pw.h b/source/module_io/write_dos_pw.h index b57eb54024b..1d4a9cc57cc 100644 --- a/source/module_io/write_dos_pw.h +++ b/source/module_io/write_dos_pw.h @@ -1,7 +1,7 @@ #ifndef WRITE_DOS_PW_H #define WRITE_DOS_PW_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_cell/klist.h" #include "module_elecstate/fp_energy.h" diff --git a/source/module_io/write_elecstat_pot.cpp b/source/module_io/write_elecstat_pot.cpp index 714fe71f49c..59f000c9430 100644 --- a/source/module_io/write_elecstat_pot.cpp +++ b/source/module_io/write_elecstat_pot.cpp @@ -1,5 +1,5 @@ -#include "module_base/element_name.h" -#include "module_base/timer.h" +#include "source_base/element_name.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/efield.h" diff --git a/source/module_io/write_istate_info.cpp b/source/module_io/write_istate_info.cpp index d6894066ee8..3cb187bf6aa 100644 --- a/source/module_io/write_istate_info.cpp +++ b/source/module_io/write_istate_info.cpp @@ -1,10 +1,10 @@ #include "write_istate_info.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/parallel_comm.h" // use POOL_WORLD +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/parallel_comm.h" // use POOL_WORLD #ifdef __MPI #include // use MPI_Barrier diff --git a/source/module_io/write_istate_info.h b/source/module_io/write_istate_info.h index 723f1efa939..279f8c82173 100644 --- a/source/module_io/write_istate_info.h +++ b/source/module_io/write_istate_info.h @@ -1,6 +1,6 @@ #ifndef WRITE_ISTATE_INFO_H #define WRITE_ISTATE_INFO_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/klist.h" #include "module_cell/parallel_kpoints.h" diff --git a/source/module_io/write_libxc_r.cpp b/source/module_io/write_libxc_r.cpp index 076a8d02c9e..1ecab616738 100644 --- a/source/module_io/write_libxc_r.cpp +++ b/source/module_io/write_libxc_r.cpp @@ -12,10 +12,10 @@ #include "module_basis/module_pw/pw_basis_big.h" #include "module_basis/module_pw/pw_basis.h" #include "module_io/cube_io.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include #include diff --git a/source/module_io/write_orb_info.cpp b/source/module_io/write_orb_info.cpp index 399a6f426b6..48ede9452b0 100644 --- a/source/module_io/write_orb_info.cpp +++ b/source/module_io/write_orb_info.cpp @@ -1,7 +1,7 @@ #include "write_orb_info.h" #include "module_parameter/parameter.h" -#include "module_base/name_angular.h" +#include "source_base/name_angular.h" #include "module_cell/atom_spec.h" void ModuleIO::write_orb_info(const UnitCell* ucell) diff --git a/source/module_io/write_pao.cpp b/source/module_io/write_pao.cpp index 5e1a30e79a0..f145263a03e 100644 --- a/source/module_io/write_pao.cpp +++ b/source/module_io/write_pao.cpp @@ -1,5 +1,5 @@ #include "write_pao.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_io/write_proj_band_lcao.cpp b/source/module_io/write_proj_band_lcao.cpp index c08c301477b..a2efb276c78 100644 --- a/source/module_io/write_proj_band_lcao.cpp +++ b/source/module_io/write_proj_band_lcao.cpp @@ -1,10 +1,10 @@ #include "write_proj_band_lcao.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "write_orb_info.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" diff --git a/source/module_io/write_vxc.hpp b/source/module_io/write_vxc.hpp index db4a576f121..d4de7fd7a07 100644 --- a/source/module_io/write_vxc.hpp +++ b/source/module_io/write_vxc.hpp @@ -1,9 +1,9 @@ #ifndef __WRITE_VXC_H_ #define __WRITE_VXC_H_ #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_container/base/third_party/blas.h" -#include "module_base/scalapack_connector.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_container/base/third_party/blas.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h" #include "module_psi/psi.h" diff --git a/source/module_io/write_vxc_lip.hpp b/source/module_io/write_vxc_lip.hpp index 9f146e6506f..288c470be05 100644 --- a/source/module_io/write_vxc_lip.hpp +++ b/source/module_io/write_vxc_lip.hpp @@ -1,8 +1,8 @@ #ifndef __WRITE_VXC_LIP_H_ #define __WRITE_VXC_LIP_H_ #include "module_parameter/parameter.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_container/base/third_party/blas.h" #include "module_hamilt_pw/hamilt_pwdft/operator_pw/veff_pw.h" #include "module_psi/psi.h" #include "module_cell/unitcell.h" diff --git a/source/module_io/write_vxc_r.hpp b/source/module_io/write_vxc_r.hpp index 29866484151..29cef9e588d 100644 --- a/source/module_io/write_vxc_r.hpp +++ b/source/module_io/write_vxc_r.hpp @@ -1,7 +1,7 @@ #ifndef __WRITE_VXC_R_H_ #define __WRITE_VXC_R_H_ #include "module_parameter/parameter.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/spar_hsr.h" diff --git a/source/module_io/write_wfc_nao.cpp b/source/module_io/write_wfc_nao.cpp index 0857924d1a0..162a280b132 100644 --- a/source/module_io/write_wfc_nao.cpp +++ b/source/module_io/write_wfc_nao.cpp @@ -1,13 +1,13 @@ #include "write_wfc_nao.h" #include "module_parameter/parameter.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" -#include "module_base/parallel_2d.h" -#include "module_base/scalapack_connector.h" -#include "module_base/global_variable.h" -#include "module_base/global_function.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/global_variable.h" +#include "source_base/global_function.h" #include "binstream.h" #include "filename.h" diff --git a/source/module_io/write_wfc_nao.h b/source/module_io/write_wfc_nao.h index 4c8a5138abe..10960b63b0e 100644 --- a/source/module_io/write_wfc_nao.h +++ b/source/module_io/write_wfc_nao.h @@ -1,9 +1,9 @@ #ifndef WRITE_WFC_NAO_H #define WRITE_WFC_NAO_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_psi/psi.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include namespace ModuleIO diff --git a/source/module_io/write_wfc_pw.cpp b/source/module_io/write_wfc_pw.cpp index 2f63f850e73..31e52d8f013 100644 --- a/source/module_io/write_wfc_pw.cpp +++ b/source/module_io/write_wfc_pw.cpp @@ -5,9 +5,9 @@ #endif #include "binstream.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" -#include "module_base/tool_title.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" +#include "source_base/tool_title.h" #include "module_parameter/parameter.h" #include "module_io/filename.h" diff --git a/source/module_io/write_wfc_r.cpp b/source/module_io/write_wfc_r.cpp index 0eb5c0a25e3..1a52e581b92 100644 --- a/source/module_io/write_wfc_r.cpp +++ b/source/module_io/write_wfc_r.cpp @@ -9,8 +9,8 @@ // Taoni add 2024-10-08 //====================== -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "write_wfc_r.h" diff --git a/source/module_io/write_wfc_r.h b/source/module_io/write_wfc_r.h index 3ec5b1913fd..f09bf847647 100644 --- a/source/module_io/write_wfc_r.h +++ b/source/module_io/write_wfc_r.h @@ -9,8 +9,8 @@ #include #include -#include "module_base/complexmatrix.h" -#include "module_base/vector3.h" +#include "source_base/complexmatrix.h" +#include "source_base/vector3.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/klist.h" #include "module_psi/psi.h" diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo.h b/source/module_lr/ao_to_mo_transformer/ao_to_mo.h index 23d42271d80..e8fd50ab042 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo.h +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo.h @@ -3,7 +3,7 @@ #include "module_psi/psi.h" #include #ifdef __MPI -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #endif namespace LR { diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp b/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp index 2cadd4ac0c2..27406648582 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "ao_to_mo.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_print.h" namespace LR diff --git a/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp b/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp index 04573381a75..7d9185733a2 100644 --- a/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp +++ b/source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp @@ -1,6 +1,6 @@ #include "ao_to_mo.h" -#include "module_base/blas_connector.h" -#include "module_base/tool_title.h" +#include "source_base/blas_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans.h b/source/module_lr/dm_trans/dm_trans.h index a02f2999d06..e905306fade 100644 --- a/source/module_lr/dm_trans/dm_trans.h +++ b/source/module_lr/dm_trans/dm_trans.h @@ -4,7 +4,7 @@ #include "module_psi/psi.h" #include #ifdef __MPI -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #endif namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans_parallel.cpp b/source/module_lr/dm_trans/dm_trans_parallel.cpp index 861a8f8cebf..a6b3ec70fed 100644 --- a/source/module_lr/dm_trans/dm_trans_parallel.cpp +++ b/source/module_lr/dm_trans/dm_trans_parallel.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "dm_trans.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dm_trans_serial.cpp b/source/module_lr/dm_trans/dm_trans_serial.cpp index cf3571bfc30..398fa234fbd 100644 --- a/source/module_lr/dm_trans/dm_trans_serial.cpp +++ b/source/module_lr/dm_trans/dm_trans_serial.cpp @@ -1,7 +1,7 @@ #include "dm_trans.h" -#include "module_base/blas_connector.h" -#include "module_base/tool_title.h" -#include "module_base/global_function.h" +#include "source_base/blas_connector.h" +#include "source_base/tool_title.h" +#include "source_base/global_function.h" #include "module_lr/utils/lr_util.h" namespace LR { diff --git a/source/module_lr/dm_trans/dmr_complex.cpp b/source/module_lr/dm_trans/dmr_complex.cpp index d5dc550bb1e..c3331c391e9 100644 --- a/source/module_lr/dm_trans/dmr_complex.cpp +++ b/source/module_lr/dm_trans/dmr_complex.cpp @@ -1,7 +1,7 @@ #include "module_elecstate/module_dm/density_matrix.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" -#include "module_base/libm/libm.h" +#include "source_base/libm/libm.h" namespace elecstate { template<> diff --git a/source/module_lr/dm_trans/test/CMakeLists.txt b/source/module_lr/dm_trans/test/CMakeLists.txt index 6a3535b7ed6..87c0e7c870c 100644 --- a/source/module_lr/dm_trans/test/CMakeLists.txt +++ b/source/module_lr/dm_trans/test/CMakeLists.txt @@ -3,12 +3,12 @@ AddTest( TARGET dm_trans_test LIBS parameter psi base ${math_libs} device container SOURCES dm_trans_test.cpp ../../utils/lr_util.cpp ../dm_trans_parallel.cpp ../dm_trans_serial.cpp - # ../../../module_base/module_container/ATen/core/tensor.cpp - # ../../../module_base/module_container/ATen/core/tensor_shape.cpp - # ../../../module_base/module_container/ATen/core/tensor_buffer.cpp - # ../../../module_base/module_container/ATen/core/tensor_map.cpp - # ../../../module_base/module_container/ATen/core/tensor_types.cpp - # ../../../module_base/module_container/base/core/cpu_allocator.cpp - # ../../../module_base/module_container/base/core/refcount.cpp - # ../../../module_base/module_container/ATen/kernels/memory_impl.cpp + # ../../../source_base/module_container/ATen/core/tensor.cpp + # ../../../source_base/module_container/ATen/core/tensor_shape.cpp + # ../../../source_base/module_container/ATen/core/tensor_buffer.cpp + # ../../../source_base/module_container/ATen/core/tensor_map.cpp + # ../../../source_base/module_container/ATen/core/tensor_types.cpp + # ../../../source_base/module_container/base/core/cpu_allocator.cpp + # ../../../source_base/module_container/base/core/refcount.cpp + # ../../../source_base/module_container/ATen/kernels/memory_impl.cpp ) \ No newline at end of file diff --git a/source/module_lr/esolver_lrtd_lcao.cpp b/source/module_lr/esolver_lrtd_lcao.cpp index 88df2959620..fa20c3daa5e 100644 --- a/source/module_lr/esolver_lrtd_lcao.cpp +++ b/source/module_lr/esolver_lrtd_lcao.cpp @@ -13,7 +13,7 @@ #include "module_io/print_info.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_lr/utils/lr_util_print.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_parameter/parameter.h" #include "module_lr/ri_benchmark/ri_benchmark.h" #include "module_lr/operator_casida/operator_lr_diag.h" // for precondition diff --git a/source/module_lr/hsolver_lrtd.hpp b/source/module_lr/hsolver_lrtd.hpp index c04b7e385a2..20a0c1c8f33 100644 --- a/source/module_lr/hsolver_lrtd.hpp +++ b/source/module_lr/hsolver_lrtd.hpp @@ -7,7 +7,7 @@ #include "source_hsolver/diago_cg.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_print.h" -#include "module_base/module_container/ATen/core/tensor_map.h" +#include "source_base/module_container/ATen/core/tensor_map.h" namespace LR { diff --git a/source/module_lr/lr_spectrum.cpp b/source/module_lr/lr_spectrum.cpp index d787718effd..d2fb10ab020 100644 --- a/source/module_lr/lr_spectrum.cpp +++ b/source/module_lr/lr_spectrum.cpp @@ -2,7 +2,7 @@ #include "module_lr/utils/lr_util.h" #include "module_parameter/parameter.h" #include "module_lr/dm_trans/dm_trans.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_hcontainer.h" #include "module_lr/utils/lr_util_print.h" diff --git a/source/module_lr/operator_casida/operator_lr_diag.h b/source/module_lr/operator_casida/operator_lr_diag.h index 3f28e2b9d8d..b5017eb08b1 100644 --- a/source/module_lr/operator_casida/operator_lr_diag.h +++ b/source/module_lr/operator_casida/operator_lr_diag.h @@ -1,9 +1,9 @@ #pragma once #include "module_lr/utils/lr_util.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_hamilt_general/operator.h" #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #endif namespace LR { diff --git a/source/module_lr/operator_casida/operator_lr_hxc.cpp b/source/module_lr/operator_casida/operator_lr_hxc.cpp index ed55c7c0c70..afb929685ba 100644 --- a/source/module_lr/operator_casida/operator_lr_hxc.cpp +++ b/source/module_lr/operator_casida/operator_lr_hxc.cpp @@ -1,8 +1,8 @@ #include "operator_lr_hxc.h" #include #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_hcontainer.h" #include "module_lr/utils/lr_util_print.h" diff --git a/source/module_lr/potentials/pot_hxc_lrtd.cpp b/source/module_lr/potentials/pot_hxc_lrtd.cpp index d5aa2628fff..bdf08b852e8 100644 --- a/source/module_lr/potentials/pot_hxc_lrtd.cpp +++ b/source/module_lr/potentials/pot_hxc_lrtd.cpp @@ -1,7 +1,7 @@ #include "pot_hxc_lrtd.h" #include "module_parameter/parameter.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include #include "module_lr/utils/lr_util.h" diff --git a/source/module_lr/potentials/xc_kernel.cpp b/source/module_lr/potentials/xc_kernel.cpp index 1c7bd098090..e5dfcef3fbc 100644 --- a/source/module_lr/potentials/xc_kernel.cpp +++ b/source/module_lr/potentials/xc_kernel.cpp @@ -1,7 +1,7 @@ #include "xc_kernel.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_parameter/parameter.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_lr/utils/lr_util.h" #include "module_lr/utils/lr_util_xc.hpp" #include diff --git a/source/module_lr/ri_benchmark/ri_benchmark.hpp b/source/module_lr/ri_benchmark/ri_benchmark.hpp index 82ab9249acc..501e3cf5f30 100644 --- a/source/module_lr/ri_benchmark/ri_benchmark.hpp +++ b/source/module_lr/ri_benchmark/ri_benchmark.hpp @@ -1,6 +1,6 @@ #pragma once #include "ri_benchmark.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/module_container/base/third_party/blas.h" namespace RI_Benchmark { // std::cout << "the size of Cs:" << std::endl; diff --git a/source/module_lr/utils/lr_util.cpp b/source/module_lr/utils/lr_util.cpp index ceb9501e0a2..d1591c6a34f 100644 --- a/source/module_lr/utils/lr_util.cpp +++ b/source/module_lr/utils/lr_util.cpp @@ -1,7 +1,7 @@ -#include "module_base/constants.h" +#include "source_base/constants.h" #include "lr_util.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" namespace LR_Util { /// =================PHYSICS==================== diff --git a/source/module_lr/utils/lr_util.h b/source/module_lr/utils/lr_util.h index 3dafe2dd0a3..4095e5cefd4 100644 --- a/source/module_lr/utils/lr_util.h +++ b/source/module_lr/utils/lr_util.h @@ -2,9 +2,9 @@ #include #include #include -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" -#include "module_base/parallel_2d.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/parallel_2d.h" #include "module_psi/psi.h" #include #include "module_basis/module_pw/pw_basis.h" diff --git a/source/module_lr/utils/lr_util.hpp b/source/module_lr/utils/lr_util.hpp index 5bbedf645f1..b599a1a3cda 100644 --- a/source/module_lr/utils/lr_util.hpp +++ b/source/module_lr/utils/lr_util.hpp @@ -3,7 +3,7 @@ #include "lr_util.h" #include #include "module_cell/unitcell.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_hamilt_general/module_xc/xc_functional.h" namespace LR_Util { diff --git a/source/module_lr/utils/lr_util_hcontainer.h b/source/module_lr/utils/lr_util_hcontainer.h index 8937d9d733a..c98b031de74 100644 --- a/source/module_lr/utils/lr_util_hcontainer.h +++ b/source/module_lr/utils/lr_util_hcontainer.h @@ -1,7 +1,7 @@ #pragma once #include "module_elecstate/module_dm/density_matrix.h" #include -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace LR_Util { template diff --git a/source/module_md/fire.cpp b/source/module_md/fire.cpp index 7c638d6f4a1..4a58d004b21 100644 --- a/source/module_md/fire.cpp +++ b/source/module_md/fire.cpp @@ -4,7 +4,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" FIRE::FIRE(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/langevin.cpp b/source/module_md/langevin.cpp index 5dcae666165..6b7f1d6be84 100644 --- a/source/module_md/langevin.cpp +++ b/source/module_md/langevin.cpp @@ -1,8 +1,8 @@ #include "langevin.h" #include "md_func.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" Langevin::Langevin(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/md_func.cpp b/source/module_md/md_func.cpp index c8c971c5aba..a02235fc1ce 100644 --- a/source/module_md/md_func.cpp +++ b/source/module_md/md_func.cpp @@ -1,7 +1,7 @@ #include "md_func.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" namespace MD_func diff --git a/source/module_md/msst.cpp b/source/module_md/msst.cpp index 3ff8c7c6f98..c055b313711 100644 --- a/source/module_md/msst.cpp +++ b/source/module_md/msst.cpp @@ -5,7 +5,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" MSST::MSST(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/nhchain.cpp b/source/module_md/nhchain.cpp index db4662f44ce..ae200aa2391 100644 --- a/source/module_md/nhchain.cpp +++ b/source/module_md/nhchain.cpp @@ -4,7 +4,7 @@ #ifdef __MPI #include "mpi.h" #endif -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/update_cell.h" Nose_Hoover::Nose_Hoover(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_md/run_md.cpp b/source/module_md/run_md.cpp index 5009c3dd674..dc083c603bb 100644 --- a/source/module_md/run_md.cpp +++ b/source/module_md/run_md.cpp @@ -4,8 +4,8 @@ #include "fire.h" #include "langevin.h" #include "md_func.h" -#include "module_base/global_file.h" -#include "module_base/timer.h" +#include "source_base/global_file.h" +#include "source_base/timer.h" #include "module_io/print_info.h" #include "msst.h" #include "nhchain.h" diff --git a/source/module_md/test/CMakeLists.txt b/source/module_md/test/CMakeLists.txt index 70ba640b81c..3224e2abde9 100644 --- a/source/module_md/test/CMakeLists.txt +++ b/source/module_md/test/CMakeLists.txt @@ -19,27 +19,27 @@ list(APPEND depend_files ../../module_cell/read_pp_upf201.cpp ../../module_cell/read_pp_vwr.cpp ../../module_cell/read_pp_blps.cpp - ../../module_base/matrix3.cpp - ../../module_base/matrix.cpp - ../../module_base/timer.cpp - ../../module_base/blas_connector_base.cpp - ../../module_base/blas_connector_matrix.cpp - ../../module_base/blas_connector_vector.cpp - ../../module_base/memory.cpp - ../../module_base/global_variable.cpp - ../../module_base/global_function.cpp - ../../module_base/global_file.cpp - ../../module_base/tool_title.cpp - ../../module_base/tool_check.cpp - ../../module_base/tool_quit.cpp - ../../module_base/intarray.cpp - ../../module_base/realarray.cpp - ../../module_base/complexarray.cpp - ../../module_base/complexmatrix.cpp - ../../module_base/global_variable.cpp - ../../module_base/libm/branred.cpp - ../../module_base/libm/sincos.cpp - ../../module_base/math_integral.cpp + ../../source_base/matrix3.cpp + ../../source_base/matrix.cpp + ../../source_base/timer.cpp + ../../source_base/blas_connector_base.cpp + ../../source_base/blas_connector_matrix.cpp + ../../source_base/blas_connector_vector.cpp + ../../source_base/memory.cpp + ../../source_base/global_variable.cpp + ../../source_base/global_function.cpp + ../../source_base/global_file.cpp + ../../source_base/tool_title.cpp + ../../source_base/tool_check.cpp + ../../source_base/tool_quit.cpp + ../../source_base/intarray.cpp + ../../source_base/realarray.cpp + ../../source_base/complexarray.cpp + ../../source_base/complexmatrix.cpp + ../../source_base/global_variable.cpp + ../../source_base/libm/branred.cpp + ../../source_base/libm/sincos.cpp + ../../source_base/math_integral.cpp ../../module_cell/module_neighbor/sltk_atom_arrange.cpp ../../module_cell/module_neighbor/sltk_atom.cpp ../../module_cell/module_neighbor/sltk_grid.cpp @@ -49,9 +49,9 @@ list(APPEND depend_files ../../module_io/print_info.cpp ../../module_io/cif_io.cpp ../../source_esolver/esolver_lj.cpp - ../../module_base/parallel_reduce.cpp - ../../module_base/parallel_global.cpp - ../../module_base/parallel_comm.cpp + ../../source_base/parallel_reduce.cpp + ../../source_base/parallel_global.cpp + ../../source_base/parallel_comm.cpp ../../module_elecstate/read_pseudo.cpp ../../module_elecstate/cal_wfc.cpp ../../module_elecstate/cal_nelec_nband.cpp diff --git a/source/module_md/verlet.cpp b/source/module_md/verlet.cpp index 2eec7a0e209..3eafb181e11 100644 --- a/source/module_md/verlet.cpp +++ b/source/module_md/verlet.cpp @@ -1,7 +1,7 @@ #include "verlet.h" #include "md_func.h" -#include "module_base/timer.h" +#include "source_base/timer.h" Verlet::Verlet(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, unit_in) { diff --git a/source/module_parameter/input_parameter.h b/source/module_parameter/input_parameter.h index 548e7da5750..d44de8e7391 100644 --- a/source/module_parameter/input_parameter.h +++ b/source/module_parameter/input_parameter.h @@ -1,7 +1,7 @@ #ifndef INPUT_PARAMETER_H #define INPUT_PARAMETER_H #include "md_parameter.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" #include #include diff --git a/source/module_psi/psi.cpp b/source/module_psi/psi.cpp index 6fb18f3ee9d..bf25e4593a3 100644 --- a/source/module_psi/psi.cpp +++ b/source/module_psi/psi.cpp @@ -1,8 +1,8 @@ #include "psi.h" -#include "module_base/global_variable.h" -#include "module_base/module_device/device.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/module_device/device.h" +#include "source_base/tool_quit.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_psi/psi.h b/source/module_psi/psi.h index 6ba0a337204..17354ba2f8c 100644 --- a/source/module_psi/psi.h +++ b/source/module_psi/psi.h @@ -1,8 +1,8 @@ #ifndef PSI_H #define PSI_H -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" #include #include diff --git a/source/module_psi/psi_init.cpp b/source/module_psi/psi_init.cpp index 38c3b4c5d0d..9ce688fbf11 100644 --- a/source/module_psi/psi_init.cpp +++ b/source/module_psi/psi_init.cpp @@ -1,10 +1,10 @@ #include "psi_init.h" -#include "module_base/macros.h" -#include "module_base/memory.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/macros.h" +#include "source_base/memory.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "source_hsolver/diago_iter_assist.h" #include "module_parameter/parameter.h" #include "module_psi/psi_initializer_atomic.h" diff --git a/source/module_psi/psi_initializer.cpp b/source/module_psi/psi_initializer.cpp index 03b25c0f790..bdc0239851d 100644 --- a/source/module_psi/psi_initializer.cpp +++ b/source/module_psi/psi_initializer.cpp @@ -1,15 +1,15 @@ #include "psi_initializer.h" -#include "module_base/memory.h" +#include "source_base/memory.h" // basic functions support -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" // three global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #endif template diff --git a/source/module_psi/psi_initializer.h b/source/module_psi/psi_initializer.h index e54ff9d3ff8..3a80c84ea37 100644 --- a/source/module_psi/psi_initializer.h +++ b/source/module_psi/psi_initializer.h @@ -8,12 +8,12 @@ // smart pointer for auto-memory management #include // numerical algorithm support -#include "module_base/spherical_bessel_transformer.h" // for spherical bessel transform +#include "source_base/spherical_bessel_transformer.h" // for spherical bessel transform #ifdef __MPI #include #endif -#include "module_base/macros.h" -#include "module_base/parallel_global.h" +#include "source_base/macros.h" +#include "source_base/parallel_global.h" #include "module_cell/klist.h" #include diff --git a/source/module_psi/psi_initializer_atomic.cpp b/source/module_psi/psi_initializer_atomic.cpp index 224836806b9..242a16eb712 100644 --- a/source/module_psi/psi_initializer_atomic.cpp +++ b/source/module_psi/psi_initializer_atomic.cpp @@ -1,15 +1,15 @@ #include "psi_initializer_atomic.h" #include "module_hamilt_pw/hamilt_pwdft/soc.h" // numerical algorithm support -#include "module_base/math_integral.h" // for numerical integration -#include "module_base/math_polyint.h" // for polynomial interpolation -#include "module_base/math_ylmreal.h" // for real spherical harmonics -#include "module_base/math_sphbes.h" // for spherical bessel functions +#include "source_base/math_integral.h" // for numerical integration +#include "source_base/math_polyint.h" // for polynomial interpolation +#include "source_base/math_ylmreal.h" // for real spherical harmonics +#include "source_base/math_sphbes.h" // for spherical bessel functions // basic functions support -#include "module_base/tool_quit.h" -#include "module_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/timer.h" // global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" // io support #include "module_io/write_pao.h" diff --git a/source/module_psi/psi_initializer_atomic.h b/source/module_psi/psi_initializer_atomic.h index 402e63af593..65ca8f015a6 100644 --- a/source/module_psi/psi_initializer_atomic.h +++ b/source/module_psi/psi_initializer_atomic.h @@ -1,6 +1,6 @@ #ifndef PSI_INITIALIZER_ATOMIC_H #define PSI_INITIALIZER_ATOMIC_H -#include "module_base/realarray.h" +#include "source_base/realarray.h" #include "psi_initializer.h" /* diff --git a/source/module_psi/psi_initializer_file.cpp b/source/module_psi/psi_initializer_file.cpp index d1378e1cd7c..d2c3b14e80f 100644 --- a/source/module_psi/psi_initializer_file.cpp +++ b/source/module_psi/psi_initializer_file.cpp @@ -1,6 +1,6 @@ #include "psi_initializer_file.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/klist.h" #include "module_io/read_wfc_pw.h" #include "module_io/filename.h" diff --git a/source/module_psi/psi_initializer_nao.cpp b/source/module_psi/psi_initializer_nao.cpp index e88c759cba5..63a8aae9ee4 100644 --- a/source/module_psi/psi_initializer_nao.cpp +++ b/source/module_psi/psi_initializer_nao.cpp @@ -2,19 +2,19 @@ #include // numerical algorithm support -#include "module_base/math_integral.h" // for numerical integration +#include "source_base/math_integral.h" // for numerical integration // numerical algorithm support -#include "module_base/math_polyint.h" // for polynomial interpolation -#include "module_base/math_ylmreal.h" // for real spherical harmonics +#include "source_base/math_polyint.h" // for polynomial interpolation +#include "source_base/math_ylmreal.h" // for real spherical harmonics // basic functions support -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" // three global variables definition -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" // parallel communication #ifdef __MPI -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #endif #include "module_io/orb_io.h" #include "module_parameter/parameter.h" diff --git a/source/module_psi/psi_initializer_nao.h b/source/module_psi/psi_initializer_nao.h index c9ba087ed67..b6ab4df3033 100644 --- a/source/module_psi/psi_initializer_nao.h +++ b/source/module_psi/psi_initializer_nao.h @@ -1,7 +1,7 @@ #ifndef PSI_INITIALIZER_NAO_H #define PSI_INITIALIZER_NAO_H -#include "module_base/cubic_spline.h" -#include "module_base/realarray.h" +#include "source_base/cubic_spline.h" +#include "source_base/realarray.h" #include "psi_initializer.h" #include diff --git a/source/module_psi/psi_initializer_random.cpp b/source/module_psi/psi_initializer_random.cpp index e781f32dfbe..6e9bb37984e 100644 --- a/source/module_psi/psi_initializer_random.cpp +++ b/source/module_psi/psi_initializer_random.cpp @@ -2,8 +2,8 @@ #ifdef __MPI #include #endif -#include "module_base/parallel_global.h" -#include "module_base/timer.h" +#include "source_base/parallel_global.h" +#include "source_base/timer.h" #include "module_cell/parallel_kpoints.h" #include "module_parameter/parameter.h" diff --git a/source/module_rdmft/rdmft.cpp b/source/module_rdmft/rdmft.cpp index 3649c0fa26d..9d320f67dbe 100644 --- a/source/module_rdmft/rdmft.cpp +++ b/source/module_rdmft/rdmft.cpp @@ -5,9 +5,9 @@ #include "rdmft.h" #include "module_rdmft/rdmft_tools.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_cell/module_symmetry/symmetry.h" diff --git a/source/module_rdmft/rdmft.h b/source/module_rdmft/rdmft.h index bc024806371..e5ee72d9c4a 100644 --- a/source/module_rdmft/rdmft.h +++ b/source/module_rdmft/rdmft.h @@ -8,9 +8,9 @@ #include "module_parameter/parameter.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" diff --git a/source/module_rdmft/rdmft_tools.cpp b/source/module_rdmft/rdmft_tools.cpp index 5b43b0cbab3..d9fa7cf2e06 100644 --- a/source/module_rdmft/rdmft_tools.cpp +++ b/source/module_rdmft/rdmft_tools.cpp @@ -5,8 +5,8 @@ #include "module_rdmft/rdmft_tools.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // used by class Veff_rdmft -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_general/module_xc/xc_functional.h" #include "module_elecstate/module_pot/H_Hartree_pw.h" #include "module_elecstate/module_pot/pot_local.h" diff --git a/source/module_rdmft/rdmft_tools.h b/source/module_rdmft/rdmft_tools.h index a18e436c474..0033af12d7c 100644 --- a/source/module_rdmft/rdmft_tools.h +++ b/source/module_rdmft/rdmft_tools.h @@ -6,17 +6,17 @@ #define RDMFT_TOOLS_H #include "module_psi/psi.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_cell/unitcell.h" #include "module_hamilt_lcao/module_gint/gint_gamma.h" #include "module_hamilt_lcao/module_gint/gint_k.h" #include "module_elecstate/module_pot/potential_new.h" -#include "module_base/blas_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/blas_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #include "module_basis/module_ao/parallel_orbitals.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/module_relax/bfgs.cpp b/source/module_relax/bfgs.cpp index 2b1be16e13f..42a637c2874 100644 --- a/source/module_relax/bfgs.cpp +++ b/source/module_relax/bfgs.cpp @@ -1,6 +1,6 @@ #include "bfgs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/matrix3.h" +#include "source_base/matrix3.h" #include "module_parameter/parameter.h" #include "ions_move_basic.h" #include "module_cell/update_cell.h" diff --git a/source/module_relax/bfgs.h b/source/module_relax/bfgs.h index d1771dbca76..aff05ccc8b6 100644 --- a/source/module_relax/bfgs.h +++ b/source/module_relax/bfgs.h @@ -5,9 +5,9 @@ #include #include #include -#include"module_base/lapack_connector.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include"source_base/lapack_connector.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "matrix_methods.h" diff --git a/source/module_relax/bfgs_basic.cpp b/source/module_relax/bfgs_basic.cpp index 90a2d39b1cb..1ef6fd77538 100644 --- a/source/module_relax/bfgs_basic.cpp +++ b/source/module_relax/bfgs_basic.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include using namespace Ions_Move_Basic; diff --git a/source/module_relax/bfgs_basic.h b/source/module_relax/bfgs_basic.h index 2e0a130a379..0e795afe388 100644 --- a/source/module_relax/bfgs_basic.h +++ b/source/module_relax/bfgs_basic.h @@ -1,7 +1,7 @@ #ifndef BFGS_BASIC #define BFGS_BASIC -#include "module_base/matrix.h" +#include "source_base/matrix.h" // references // 1) Roger Fletcher, Practical Methods of Optimization, John Wiley and diff --git a/source/module_relax/ions_move_basic.cpp b/source/module_relax/ions_move_basic.cpp index a8dabe57437..d88a83343cb 100644 --- a/source/module_relax/ions_move_basic.cpp +++ b/source/module_relax/ions_move_basic.cpp @@ -1,8 +1,8 @@ #include "ions_move_basic.h" #include "module_parameter/parameter.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_cell/update_cell.h" #include "module_cell/print_cell.h" int Ions_Move_Basic::dim = 0; diff --git a/source/module_relax/ions_move_basic.h b/source/module_relax/ions_move_basic.h index 9b70117c439..2be561cc27a 100644 --- a/source/module_relax/ions_move_basic.h +++ b/source/module_relax/ions_move_basic.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_BASIC_H #define IONS_MOVE_BASIC_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace Ions_Move_Basic diff --git a/source/module_relax/ions_move_bfgs.cpp b/source/module_relax/ions_move_bfgs.cpp index afce2c75884..1afa361eb07 100644 --- a/source/module_relax/ions_move_bfgs.cpp +++ b/source/module_relax/ions_move_bfgs.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" //============= MAP OF BFGS =========================== // (1) start() -> BFGS_Basic::check_converged() diff --git a/source/module_relax/ions_move_bfgs.h b/source/module_relax/ions_move_bfgs.h index 42a08a25930..0f5cf9adc23 100644 --- a/source/module_relax/ions_move_bfgs.h +++ b/source/module_relax/ions_move_bfgs.h @@ -2,7 +2,7 @@ #define IONS_MOVE_BFGS_H #include "bfgs_basic.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_BFGS : public BFGS_Basic { diff --git a/source/module_relax/ions_move_cg.cpp b/source/module_relax/ions_move_cg.cpp index a311757d948..7da54c38318 100644 --- a/source/module_relax/ions_move_cg.cpp +++ b/source/module_relax/ions_move_cg.cpp @@ -1,8 +1,8 @@ #include "ions_move_cg.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" using namespace Ions_Move_Basic; double Ions_Move_CG::RELAX_CG_THR = -1.0; // default is 0.5 diff --git a/source/module_relax/ions_move_cg.h b/source/module_relax/ions_move_cg.h index 59ed3b63c1c..5bf764aaae9 100644 --- a/source/module_relax/ions_move_cg.h +++ b/source/module_relax/ions_move_cg.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_CG_H #define IONS_MOVE_CG_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_CG { diff --git a/source/module_relax/ions_move_methods.cpp b/source/module_relax/ions_move_methods.cpp index ddb25a59c0e..50ab3286c11 100644 --- a/source/module_relax/ions_move_methods.cpp +++ b/source/module_relax/ions_move_methods.cpp @@ -1,8 +1,8 @@ #include "ions_move_methods.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" Ions_Move_Methods::Ions_Move_Methods() diff --git a/source/module_relax/ions_move_sd.cpp b/source/module_relax/ions_move_sd.cpp index 89e5f9e3cb4..03aa2087873 100644 --- a/source/module_relax/ions_move_sd.cpp +++ b/source/module_relax/ions_move_sd.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ions_move_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include using namespace Ions_Move_Basic; diff --git a/source/module_relax/ions_move_sd.h b/source/module_relax/ions_move_sd.h index 260a930610a..4fb92f0ddaa 100644 --- a/source/module_relax/ions_move_sd.h +++ b/source/module_relax/ions_move_sd.h @@ -1,7 +1,7 @@ #ifndef IONS_MOVE_SD_H #define IONS_MOVE_SD_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Ions_Move_SD { diff --git a/source/module_relax/lattice_change_basic.cpp b/source/module_relax/lattice_change_basic.cpp index c145d36ee84..1a0952add17 100644 --- a/source/module_relax/lattice_change_basic.cpp +++ b/source/module_relax/lattice_change_basic.cpp @@ -1,8 +1,8 @@ #include "lattice_change_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_common.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_common.h" #include "module_parameter/parameter.h" int Lattice_Change_Basic::dim = 0; diff --git a/source/module_relax/lattice_change_basic.h b/source/module_relax/lattice_change_basic.h index 59666e3bbe8..0e60515f7a3 100644 --- a/source/module_relax/lattice_change_basic.h +++ b/source/module_relax/lattice_change_basic.h @@ -1,7 +1,7 @@ #ifndef LATTICE_CHANGE_BASIC_H #define LATTICE_CHANGE_BASIC_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" namespace Lattice_Change_Basic diff --git a/source/module_relax/lattice_change_cg.cpp b/source/module_relax/lattice_change_cg.cpp index 5d5af384b65..94a1bf581d0 100644 --- a/source/module_relax/lattice_change_cg.cpp +++ b/source/module_relax/lattice_change_cg.cpp @@ -1,8 +1,8 @@ #include "lattice_change_cg.h" #include "lattice_change_basic.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" // the 'dim' variable is defined in Lattice_Change_Basic using namespace Lattice_Change_Basic; diff --git a/source/module_relax/lattice_change_cg.h b/source/module_relax/lattice_change_cg.h index bbaa012919d..26b32da5398 100644 --- a/source/module_relax/lattice_change_cg.h +++ b/source/module_relax/lattice_change_cg.h @@ -1,7 +1,7 @@ #ifndef LATTICE_CHANGE_CG_H #define LATTICE_CHANGE_CG_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" class Lattice_Change_CG { diff --git a/source/module_relax/lattice_change_methods.cpp b/source/module_relax/lattice_change_methods.cpp index 96c09118110..dadd0b3f231 100644 --- a/source/module_relax/lattice_change_methods.cpp +++ b/source/module_relax/lattice_change_methods.cpp @@ -1,6 +1,6 @@ #include "lattice_change_methods.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" Lattice_Change_Methods::Lattice_Change_Methods() { diff --git a/source/module_relax/lbfgs.cpp b/source/module_relax/lbfgs.cpp index b88c13e333c..edf63711870 100644 --- a/source/module_relax/lbfgs.cpp +++ b/source/module_relax/lbfgs.cpp @@ -1,6 +1,6 @@ #include "lbfgs.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/matrix3.h" +#include "source_base/matrix3.h" #include "module_parameter/parameter.h" #include "ions_move_basic.h" #include "module_cell/update_cell.h" diff --git a/source/module_relax/lbfgs.h b/source/module_relax/lbfgs.h index 7295eb42e3f..7d9573d8d75 100644 --- a/source/module_relax/lbfgs.h +++ b/source/module_relax/lbfgs.h @@ -5,11 +5,11 @@ #include #include #include -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #include "matrix_methods.h" //#include "line_search.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "source_esolver/esolver.h" #include "source_esolver/esolver_ks.h" diff --git a/source/module_relax/relax_driver.cpp b/source/module_relax/relax_driver.cpp index 2a584cdf648..449bda9c325 100644 --- a/source/module_relax/relax_driver.cpp +++ b/source/module_relax/relax_driver.cpp @@ -1,6 +1,6 @@ #include "relax_driver.h" -#include "module_base/global_file.h" +#include "source_base/global_file.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // use chr. #include "module_io/cif_io.h" #include "module_io/json_output/output_info.h" diff --git a/source/module_relax/relax_nsync.cpp b/source/module_relax/relax_nsync.cpp index 7b401bc9f38..723013fe25f 100644 --- a/source/module_relax/relax_nsync.cpp +++ b/source/module_relax/relax_nsync.cpp @@ -1,7 +1,7 @@ #include "relax_nsync.h" -#include "module_base/global_function.h" -#include "module_base/global_variable.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" #include "module_cell/update_cell.h" void Relax_old::init_relax(const int& natom) diff --git a/source/module_relax/relax_sync.cpp b/source/module_relax/relax_sync.cpp index 0e42c746c04..9903f8f7aa1 100644 --- a/source/module_relax/relax_sync.cpp +++ b/source/module_relax/relax_sync.cpp @@ -1,9 +1,9 @@ #include "relax_sync.h" -#include "module_base/matrix3.h" -#include "module_base/parallel_common.h" -#include "module_base/tool_title.h" +#include "source_base/matrix3.h" +#include "source_base/parallel_common.h" +#include "source_base/tool_title.h" #include "module_cell/update_cell.h" #include "module_cell/print_cell.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_relax/relax_sync.h b/source/module_relax/relax_sync.h index 11bd7fdf903..cf37bfd336c 100644 --- a/source/module_relax/relax_sync.h +++ b/source/module_relax/relax_sync.h @@ -4,8 +4,8 @@ #define RELAX1_H #include "line_search.h" -#include "module_base/matrix.h" -#include "module_base/matrix3.h" +#include "source_base/matrix.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" class Relax diff --git a/source/module_relax/test/CMakeLists.txt b/source/module_relax/test/CMakeLists.txt index 8948fe20e8b..ab605957ca1 100644 --- a/source/module_relax/test/CMakeLists.txt +++ b/source/module_relax/test/CMakeLists.txt @@ -9,16 +9,16 @@ install(DIRECTORY support DESTINATION ${CMAKE_CURRENT_BINARY_DIR}) AddTest( TARGET relax_new_line_search LIBS parameter - SOURCES line_search_test.cpp ../line_search.cpp ../../module_base/global_variable.cpp ../../module_base/global_file.cpp ../../module_base/global_function.cpp ../../module_base/memory.cpp ../../module_base/timer.cpp ../../module_base/tool_quit.cpp + SOURCES line_search_test.cpp ../line_search.cpp ../../source_base/global_variable.cpp ../../source_base/global_file.cpp ../../source_base/global_function.cpp ../../source_base/memory.cpp ../../source_base/timer.cpp ../../source_base/tool_quit.cpp ) AddTest( TARGET relax_new_relax - SOURCES relax_test.cpp ../relax_sync.cpp ../line_search.cpp ../../module_base/tool_quit.cpp ../../module_base/global_variable.cpp ../../module_base/global_file.cpp ../../module_base/memory.cpp ../../module_base/timer.cpp - ../../module_base/matrix3.cpp ../../module_base/intarray.cpp ../../module_base/tool_title.cpp - ../../module_base/global_function.cpp ../../module_base/complexmatrix.cpp ../../module_base/matrix.cpp - ../../module_base/complexarray.cpp ../../module_base/tool_quit.cpp ../../module_base/realarray.cpp - ../../module_base/blas_connector_base.cpp ../../module_base/blas_connector_vector.cpp ../../module_base/blas_connector_matrix.cpp + SOURCES relax_test.cpp ../relax_sync.cpp ../line_search.cpp ../../source_base/tool_quit.cpp ../../source_base/global_variable.cpp ../../source_base/global_file.cpp ../../source_base/memory.cpp ../../source_base/timer.cpp + ../../source_base/matrix3.cpp ../../source_base/intarray.cpp ../../source_base/tool_title.cpp + ../../source_base/global_function.cpp ../../source_base/complexmatrix.cpp ../../source_base/matrix.cpp + ../../source_base/complexarray.cpp ../../source_base/tool_quit.cpp ../../source_base/realarray.cpp + ../../source_base/blas_connector_base.cpp ../../source_base/blas_connector_vector.cpp ../../source_base/blas_connector_matrix.cpp ../../module_cell/update_cell.cpp ../../module_cell/print_cell.cpp ../../module_cell/bcast_cell.cpp ../../module_io/output.cpp LIBS parameter ${math_libs} ) diff --git a/source/module_relax/test/bfgs_test.cpp b/source/module_relax/test/bfgs_test.cpp index bc06ed4bdf9..1f96c7b383f 100644 --- a/source/module_relax/test/bfgs_test.cpp +++ b/source/module_relax/test/bfgs_test.cpp @@ -2,7 +2,7 @@ #include "for_test.h" #include "module_relax/bfgs.h" #include "module_cell/unitcell.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_relax/ions_move_basic.h" #include "module_relax/matrix_methods.h" diff --git a/source/module_ri/ABFs_Construct-PCA.cpp b/source/module_ri/ABFs_Construct-PCA.cpp index 933b8c98048..59b246b7cc8 100644 --- a/source/module_ri/ABFs_Construct-PCA.cpp +++ b/source/module_ri/ABFs_Construct-PCA.cpp @@ -1,10 +1,10 @@ #include "ABFs_Construct-PCA.h" #include "exx_abfs-abfs_index.h" -#include "../module_base/lapack_connector.h" -#include "../module_base/global_function.h" -#include "../module_base/element_basis_index.h" -#include "../module_base/matrix.h" +#include "../source_base/lapack_connector.h" +#include "../source_base/global_function.h" +#include "../source_base/element_basis_index.h" +#include "../source_base/matrix.h" #include "../module_ri/Matrix_Orbs11.h" #include "../module_ri/Matrix_Orbs21.h" diff --git a/source/module_ri/Exx_LRI.h b/source/module_ri/Exx_LRI.h index ae53393ee62..63f90150e9a 100644 --- a/source/module_ri/Exx_LRI.h +++ b/source/module_ri/Exx_LRI.h @@ -9,7 +9,7 @@ #include "LRI_CV.h" #include "module_hamilt_general/module_xc/exx_info.h" #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include #include diff --git a/source/module_ri/Exx_LRI.hpp b/source/module_ri/Exx_LRI.hpp index 46663f0d75f..54d401c02e2 100644 --- a/source/module_ri/Exx_LRI.hpp +++ b/source/module_ri/Exx_LRI.hpp @@ -13,8 +13,8 @@ #include "module_ri/exx_abfs-construct_orbs.h" #include "module_ri/exx_abfs-io.h" #include "module_ri/conv_coulomb_pot_k.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_ri/serialization_cereal.h" #include "module_ri/Mix_DMk_2D.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/module_ri/Exx_LRI_interface.hpp b/source/module_ri/Exx_LRI_interface.hpp index a7ea139e2bf..73a0f8b4b28 100644 --- a/source/module_ri/Exx_LRI_interface.hpp +++ b/source/module_ri/Exx_LRI_interface.hpp @@ -7,8 +7,8 @@ #include "module_ri/exx_opt_orb.h" #include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h" #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h" -#include "module_base/parallel_common.h" -#include "module_base/formatter.h" +#include "source_base/parallel_common.h" +#include "source_base/formatter.h" #include "module_io/csr_reader.h" #include "module_io/write_HS_sparse.h" diff --git a/source/module_ri/Inverse_Matrix.hpp b/source/module_ri/Inverse_Matrix.hpp index 2778a4a9162..f48d23d41c8 100644 --- a/source/module_ri/Inverse_Matrix.hpp +++ b/source/module_ri/Inverse_Matrix.hpp @@ -7,7 +7,7 @@ #define INVERSE_MATRIX_HPP #include "Inverse_Matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #include diff --git a/source/module_ri/LRI_CV.h b/source/module_ri/LRI_CV.h index 99b52476ea6..bfca46208cb 100644 --- a/source/module_ri/LRI_CV.h +++ b/source/module_ri/LRI_CV.h @@ -9,8 +9,8 @@ #include "Matrix_Orbs11.h" #include "Matrix_Orbs21.h" #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/abfs-vector3_order.h" -#include "module_base/element_basis_index.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/element_basis_index.h" #include #include diff --git a/source/module_ri/LRI_CV.hpp b/source/module_ri/LRI_CV.hpp index 2e4dc71e643..06e2b51685c 100644 --- a/source/module_ri/LRI_CV.hpp +++ b/source/module_ri/LRI_CV.hpp @@ -10,8 +10,8 @@ #include "LRI_CV_Tools.h" #include "exx_abfs-abfs_index.h" #include "RI_Util.h" -#include "../module_base/tool_title.h" -#include "../module_base/timer.h" +#include "../source_base/tool_title.h" +#include "../source_base/timer.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include #include diff --git a/source/module_ri/LRI_CV_Tools.h b/source/module_ri/LRI_CV_Tools.h index c97f5025161..d66ddbc53f8 100644 --- a/source/module_ri/LRI_CV_Tools.h +++ b/source/module_ri/LRI_CV_Tools.h @@ -6,7 +6,7 @@ #ifndef LRI_CV_TOOLS_H #define LRI_CV_TOOLS_H -#include "module_base/abfs-vector3_order.h" +#include "source_base/abfs-vector3_order.h" #include diff --git a/source/module_ri/LRI_CV_Tools.hpp b/source/module_ri/LRI_CV_Tools.hpp index 39087e66418..6e11d620def 100644 --- a/source/module_ri/LRI_CV_Tools.hpp +++ b/source/module_ri/LRI_CV_Tools.hpp @@ -8,7 +8,7 @@ #include "LRI_CV_Tools.h" #include "Inverse_Matrix.h" -#include "../module_base/mathzone.h" +#include "../source_base/mathzone.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" template diff --git a/source/module_ri/Matrix_Orbs11.cpp b/source/module_ri/Matrix_Orbs11.cpp index 01572cbc8df..8849b565f86 100644 --- a/source/module_ri/Matrix_Orbs11.cpp +++ b/source/module_ri/Matrix_Orbs11.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs11.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs11::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs11.h b/source/module_ri/Matrix_Orbs11.h index b994f93265c..7f8bcb2089d 100644 --- a/source/module_ri/Matrix_Orbs11.h +++ b/source/module_ri/Matrix_Orbs11.h @@ -6,9 +6,9 @@ #ifndef MATRIX_ORB11_H #define MATRIX_ORB11_H -#include "module_base/element_basis_index.h" -#include "module_base/sph_bessel_recursive.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/sph_bessel_recursive.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb11.h" diff --git a/source/module_ri/Matrix_Orbs21.cpp b/source/module_ri/Matrix_Orbs21.cpp index 2351d3fde13..50c37e0b0a6 100644 --- a/source/module_ri/Matrix_Orbs21.cpp +++ b/source/module_ri/Matrix_Orbs21.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs21.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs21::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs21.h b/source/module_ri/Matrix_Orbs21.h index 1d2895b4b28..77dc4b82017 100644 --- a/source/module_ri/Matrix_Orbs21.h +++ b/source/module_ri/Matrix_Orbs21.h @@ -6,8 +6,8 @@ #ifndef MATRIX_ORB21_H #define MATRIX_ORB21_H -#include "module_base/element_basis_index.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb21.h" diff --git a/source/module_ri/Matrix_Orbs22.cpp b/source/module_ri/Matrix_Orbs22.cpp index d2592d5ce59..e001fbf1579 100644 --- a/source/module_ri/Matrix_Orbs22.cpp +++ b/source/module_ri/Matrix_Orbs22.cpp @@ -5,8 +5,8 @@ #include "Matrix_Orbs22.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" void Matrix_Orbs22::init(const int mode, diff --git a/source/module_ri/Matrix_Orbs22.h b/source/module_ri/Matrix_Orbs22.h index c3fa5331f83..47b04c95992 100644 --- a/source/module_ri/Matrix_Orbs22.h +++ b/source/module_ri/Matrix_Orbs22.h @@ -6,8 +6,8 @@ #ifndef MATRIX_ORB22_H #define MATRIX_ORB22_H -#include "module_base/element_basis_index.h" -#include "module_base/vector3.h" +#include "source_base/element_basis_index.h" +#include "source_base/vector3.h" #include "module_basis/module_ao/ORB_gaunt_table.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_lcao/hamilt_lcaodft/center2_orb-orb22.h" diff --git a/source/module_ri/Mix_DMk_2D.cpp b/source/module_ri/Mix_DMk_2D.cpp index 8abd540a146..286075a5d66 100644 --- a/source/module_ri/Mix_DMk_2D.cpp +++ b/source/module_ri/Mix_DMk_2D.cpp @@ -4,7 +4,7 @@ //======================= #include "Mix_DMk_2D.h" -#include "module_base/tool_title.h" +#include "source_base/tool_title.h" Mix_DMk_2D &Mix_DMk_2D::set_nks(const int nks, const bool gamma_only_in) { diff --git a/source/module_ri/Mix_DMk_2D.h b/source/module_ri/Mix_DMk_2D.h index 9d640fa7f12..2f24471d91c 100644 --- a/source/module_ri/Mix_DMk_2D.h +++ b/source/module_ri/Mix_DMk_2D.h @@ -7,9 +7,9 @@ #define MIX_DMK_2D_H #include "Mix_Matrix.h" -#include "module_base/module_mixing/mixing.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" #include diff --git a/source/module_ri/Mix_Matrix.cpp b/source/module_ri/Mix_Matrix.cpp index 21d5b5e3c20..bb7ad3c8404 100644 --- a/source/module_ri/Mix_Matrix.cpp +++ b/source/module_ri/Mix_Matrix.cpp @@ -7,9 +7,9 @@ #define MIX_DATA_HPP #include "Mix_Matrix.h" -#include "module_base/matrix.h" -#include "module_base/complexmatrix.h" -#include "module_base/tool_title.h" +#include "source_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/tool_title.h" template<> void Mix_Matrix::mix(const ModuleBase::matrix& data_in, const bool flag_restart) diff --git a/source/module_ri/Mix_Matrix.h b/source/module_ri/Mix_Matrix.h index 820a6c47f2f..fa11bbdb007 100644 --- a/source/module_ri/Mix_Matrix.h +++ b/source/module_ri/Mix_Matrix.h @@ -8,8 +8,8 @@ #include -#include "module_base/module_mixing/mixing.h" -#include "module_base/module_mixing/plain_mixing.h" +#include "source_base/module_mixing/mixing.h" +#include "source_base/module_mixing/plain_mixing.h" template class Mix_Matrix { diff --git a/source/module_ri/RI_2D_Comm.hpp b/source/module_ri/RI_2D_Comm.hpp index f40e6f59d4a..4f8e0242fce 100644 --- a/source/module_ri/RI_2D_Comm.hpp +++ b/source/module_ri/RI_2D_Comm.hpp @@ -9,8 +9,8 @@ #include "RI_2D_Comm.h" #include "RI_Util.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" #include "module_parameter/parameter.h" #include diff --git a/source/module_ri/RI_Util.hpp b/source/module_ri/RI_Util.hpp index c08043fd002..a076d94f660 100644 --- a/source/module_ri/RI_Util.hpp +++ b/source/module_ri/RI_Util.hpp @@ -8,7 +8,7 @@ #include "RI_Util.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" -#include "module_base/global_function.h" +#include "source_base/global_function.h" namespace RI_Util { diff --git a/source/module_ri/RPA_LRI.h b/source/module_ri/RPA_LRI.h index e194a8ea8d6..2007715019f 100644 --- a/source/module_ri/RPA_LRI.h +++ b/source/module_ri/RPA_LRI.h @@ -10,7 +10,7 @@ #include "LRI_CV.h" // #include "module_xc/exx_info.h" // #include "module_basis/module_ao/ORB_atomic_lm.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" // #include "module_ri/Exx_LRI.h" // #include #include diff --git a/source/module_ri/abfs.h b/source/module_ri/abfs.h index b6e6694e110..926e514cc39 100644 --- a/source/module_ri/abfs.h +++ b/source/module_ri/abfs.h @@ -1,8 +1,8 @@ #ifndef ABFS_H #define ABFS_H -#include "../module_base/vector3.h" -#include "../module_base/matrix.h" +#include "../source_base/vector3.h" +#include "../source_base/matrix.h" #include "exx_abfs.h" #include diff --git a/source/module_ri/conv_coulomb_pot_k.cpp b/source/module_ri/conv_coulomb_pot_k.cpp index fb77e22d04a..29b48e1512f 100644 --- a/source/module_ri/conv_coulomb_pot_k.cpp +++ b/source/module_ri/conv_coulomb_pot_k.cpp @@ -1,5 +1,5 @@ #include "conv_coulomb_pot_k.h" -#include "../module_base/constants.h" +#include "../source_base/constants.h" #include "module_parameter/parameter.h" #include "../module_basis/module_ao/ORB_atomic_lm.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_ri/exx_abfs-abfs_index.h b/source/module_ri/exx_abfs-abfs_index.h index 09cc493f2e1..1672fa24ec8 100644 --- a/source/module_ri/exx_abfs-abfs_index.h +++ b/source/module_ri/exx_abfs-abfs_index.h @@ -4,7 +4,7 @@ #include "exx_abfs.h" #include -#include "../module_base/element_basis_index.h" +#include "../source_base/element_basis_index.h" #include "../module_basis/module_ao/ORB_atomic_lm.h" class LCAO_Orbitals; diff --git a/source/module_ri/exx_abfs-construct_orbs.cpp b/source/module_ri/exx_abfs-construct_orbs.cpp index fe731d7dbdc..79a7fcbd542 100644 --- a/source/module_ri/exx_abfs-construct_orbs.cpp +++ b/source/module_ri/exx_abfs-construct_orbs.cpp @@ -2,8 +2,8 @@ #include "module_parameter/parameter.h" #include "ABFs_Construct-PCA.h" -#include "module_base/gram_schmidt_orth-inl.h" -#include "module_base/gram_schmidt_orth.h" +#include "source_base/gram_schmidt_orth-inl.h" +#include "source_base/gram_schmidt_orth.h" #include "module_basis/module_ao/ORB_read.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" //for ucell #include "module_ri/test_code/exx_abfs-construct_orbs-test.h" // Peize Lin test diff --git a/source/module_ri/exx_abfs-io.cpp b/source/module_ri/exx_abfs-io.cpp index 938d2b0238c..ac20e5a5d41 100644 --- a/source/module_ri/exx_abfs-io.cpp +++ b/source/module_ri/exx_abfs-io.cpp @@ -7,8 +7,8 @@ #include "exx_abfs-abfs_index.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include "../module_basis/module_ao/ORB_read.h" -#include "../module_base/global_function.h" -#include "../module_base/math_integral.h" // mohan add 2021-04-03 +#include "../source_base/global_function.h" +#include "../source_base/math_integral.h" // mohan add 2021-04-03 std::vector>> Exx_Abfs::IO::construct_abfs( diff --git a/source/module_ri/exx_abfs-io.h b/source/module_ri/exx_abfs-io.h index 15dd9303a3e..e273f4b2b71 100644 --- a/source/module_ri/exx_abfs-io.h +++ b/source/module_ri/exx_abfs-io.h @@ -6,8 +6,8 @@ #include #include #include "../module_basis/module_ao/ORB_atomic_lm.h" -#include "../module_base/matrix.h" -#include "../module_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/element_basis_index.h" #include "module_cell/klist.h" #ifdef __MPI #include "mpi.h" diff --git a/source/module_ri/exx_abfs-jle.cpp b/source/module_ri/exx_abfs-jle.cpp index f9086fe7777..a04edff3349 100644 --- a/source/module_ri/exx_abfs-jle.cpp +++ b/source/module_ri/exx_abfs-jle.cpp @@ -3,9 +3,9 @@ #include "module_parameter/parameter.h" #include "../module_hamilt_pw/hamilt_pwdft/global.h" #include "../module_basis/module_ao/ORB_read.h" -#include "../module_base/global_function.h" -#include "../module_base/mathzone.h" -#include "../module_base/math_sphbes.h" // mohan add 2021-05-06 +#include "../source_base/global_function.h" +#include "../source_base/mathzone.h" +#include "../source_base/math_sphbes.h" // mohan add 2021-05-06 bool Exx_Abfs::Jle::generate_matrix = false; int Exx_Abfs::Jle::Lmax = 2; diff --git a/source/module_ri/exx_abfs.h b/source/module_ri/exx_abfs.h index 845eb3d81b0..ec55c0de8c9 100644 --- a/source/module_ri/exx_abfs.h +++ b/source/module_ri/exx_abfs.h @@ -8,9 +8,9 @@ using std::map; #include #include "../module_basis/module_ao/ORB_atomic_lm.h" -#include "../module_base/element_basis_index.h" -#include "../module_base/matrix.h" -#include "../module_base/vector3.h" +#include "../source_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/vector3.h" class Exx_Abfs { diff --git a/source/module_ri/exx_lip.h b/source/module_ri/exx_lip.h index 9f19560c105..4ad9c48de43 100644 --- a/source/module_ri/exx_lip.h +++ b/source/module_ri/exx_lip.h @@ -6,8 +6,8 @@ #define EXX_LIP_H #include "module_hamilt_general/module_xc/exx_info.h" -#include "module_base/macros.h" -#include "module_base/matrix.h" +#include "source_base/macros.h" +#include "source_base/matrix.h" #include #include diff --git a/source/module_ri/exx_lip.hpp b/source/module_ri/exx_lip.hpp index 5e26446df43..014320bf86b 100644 --- a/source/module_ri/exx_lip.hpp +++ b/source/module_ri/exx_lip.hpp @@ -8,22 +8,22 @@ #define EXX_LIP_HPP #include "exx_lip.h" -#include "module_base/vector3.h" -#include "module_base/global_function.h" -#include "module_base/vector3.h" +#include "source_base/vector3.h" +#include "source_base/global_function.h" +#include "source_base/vector3.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_cell/klist.h" #include "module_hamilt_lcao/hamilt_lcaodft/wavefunc_in_pw.h" -#include "module_base/lapack_connector.h" -#include "module_base/parallel_global.h" +#include "source_base/lapack_connector.h" +#include "source_base/parallel_global.h" #include "module_parameter/parameter.h" #include "module_elecstate/elecstate.h" #include "module_basis/module_pw/pw_basis_k.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_psi/psi_init.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" #include diff --git a/source/module_ri/exx_opt_orb.h b/source/module_ri/exx_opt_orb.h index 2b68dfa40a1..4a785f2125d 100644 --- a/source/module_ri/exx_opt_orb.h +++ b/source/module_ri/exx_opt_orb.h @@ -1,8 +1,8 @@ #ifndef EXX_OPT_ORB_H #define EXX_OPT_ORB_H -#include "../module_base/matrix.h" -#include "../module_base/element_basis_index.h" +#include "../source_base/matrix.h" +#include "../source_base/element_basis_index.h" #include "module_cell/klist.h" #include "module_basis/module_ao/ORB_read.h" #include diff --git a/source/module_ri/module_exx_symmetry/irreducible_sector.h b/source/module_ri/module_exx_symmetry/irreducible_sector.h index 7a12b9a2326..84b2d319097 100644 --- a/source/module_ri/module_exx_symmetry/irreducible_sector.h +++ b/source/module_ri/module_exx_symmetry/irreducible_sector.h @@ -2,8 +2,8 @@ #include #include #include -#include "module_base/abfs-vector3_order.h" -#include "module_base/matrix3.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/matrix3.h" #include "module_cell/unitcell.h" #include "module_cell/module_symmetry/symmetry.h" #include "module_cell/klist.h" diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp b/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp index 27cfc8e7239..7bdd28436cd 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation.cpp @@ -1,12 +1,12 @@ #include "symmetry_rotation.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #include "module_parameter/parameter.h" #include -#include "module_base/parallel_reduce.h" -#include "module_base/scalapack_connector.h" -#include "module_base/tool_title.h" -#include "module_base/timer.h" -#include "module_base/mathzone.h" +#include "source_base/parallel_reduce.h" +#include "source_base/scalapack_connector.h" +#include "source_base/tool_title.h" +#include "source_base/timer.h" +#include "source_base/mathzone.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp b/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp index 12d88d1a175..d2301576fd3 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation_R.hpp @@ -1,7 +1,7 @@ #include "symmetry_rotation.h" #include "module_ri/RI_Util.h" -#include "module_base/blas_connector.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/timer.h" #include #include #include diff --git a/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp b/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp index 3aef1951605..98623d359a2 100644 --- a/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp +++ b/source/module_ri/module_exx_symmetry/symmetry_rotation_R_hcontainer.hpp @@ -1,6 +1,6 @@ #include "symmetry_rotation.h" -#include "module_base/blas_connector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/parallel_reduce.h" namespace ModuleSymmetry { template diff --git a/source/module_ri/serialization_boost.h b/source/module_ri/serialization_boost.h index 7d830b4b0e2..c187155489b 100644 --- a/source/module_ri/serialization_boost.h +++ b/source/module_ri/serialization_boost.h @@ -11,10 +11,10 @@ #include #include -#include "../module_base/vector3.h" -#include "../module_base/abfs-vector3_order.h" -#include "../module_base/matrix.h" -#include "../module_base/matrix_wrapper.h" +#include "../source_base/vector3.h" +#include "../source_base/abfs-vector3_order.h" +#include "../source_base/matrix.h" +#include "../source_base/matrix_wrapper.h" namespace boost { diff --git a/source/module_ri/serialization_cereal.h b/source/module_ri/serialization_cereal.h index 6690b738f6b..802449f624a 100644 --- a/source/module_ri/serialization_cereal.h +++ b/source/module_ri/serialization_cereal.h @@ -9,9 +9,9 @@ #include #include -#include "../module_base/vector3.h" -#include "../module_base/abfs-vector3_order.h" -#include "../module_base/matrix.h" +#include "../source_base/vector3.h" +#include "../source_base/abfs-vector3_order.h" +#include "../source_base/matrix.h" diff --git a/source/module_ri/test/dm_mixing_test.cpp b/source/module_ri/test/dm_mixing_test.cpp index 9831f5101dd..5f8124e2e32 100644 --- a/source/module_ri/test/dm_mixing_test.cpp +++ b/source/module_ri/test/dm_mixing_test.cpp @@ -1,6 +1,6 @@ #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "module_base/module_mixing/broyden_mixing.h" +#include "source_base/module_mixing/broyden_mixing.h" #include "module_ri/Mix_DMk_2D.h" #include "module_ri/Mix_Matrix.h" diff --git a/source/module_ri/test_code/element_basis_index-unittest.cpp b/source/module_ri/test_code/element_basis_index-unittest.cpp index 0fbf2f21ee7..427c3655690 100644 --- a/source/module_ri/test_code/element_basis_index-unittest.cpp +++ b/source/module_ri/test_code/element_basis_index-unittest.cpp @@ -3,7 +3,7 @@ // DATE : 2016-06-02 //========================================================== -#include "module_base/element_basis_index.h" +#include "source_base/element_basis_index.h" #include "element_basis_index-test.h" ModuleBase::Element_Basis_Index::Range construct_range() diff --git a/source/module_ri/test_code/scalapack-test.cpp b/source/module_ri/test_code/scalapack-test.cpp index a9ca65467bd..e3ba182f906 100644 --- a/source/module_ri/test_code/scalapack-test.cpp +++ b/source/module_ri/test_code/scalapack-test.cpp @@ -1,8 +1,8 @@ #ifdef __MPI #include #endif -#include "module_base/scalapack-connector.h" -#include "module_base/global_function.h" +#include "source_base/scalapack-connector.h" +#include "source_base/global_function.h" void test_pblas() { diff --git a/source/module_base/CMakeLists.txt b/source/source_base/CMakeLists.txt similarity index 100% rename from source/module_base/CMakeLists.txt rename to source/source_base/CMakeLists.txt diff --git a/source/module_base/abfs-vector3_order.cpp b/source/source_base/abfs-vector3_order.cpp similarity index 100% rename from source/module_base/abfs-vector3_order.cpp rename to source/source_base/abfs-vector3_order.cpp diff --git a/source/module_base/abfs-vector3_order.h b/source/source_base/abfs-vector3_order.h similarity index 100% rename from source/module_base/abfs-vector3_order.h rename to source/source_base/abfs-vector3_order.h diff --git a/source/module_base/array_pool.h b/source/source_base/array_pool.h similarity index 100% rename from source/module_base/array_pool.h rename to source/source_base/array_pool.h diff --git a/source/module_base/assoc_laguerre.cpp b/source/source_base/assoc_laguerre.cpp similarity index 97% rename from source/module_base/assoc_laguerre.cpp rename to source/source_base/assoc_laguerre.cpp index cdc3ef94d96..2b2171a4c8f 100644 --- a/source/module_base/assoc_laguerre.cpp +++ b/source/source_base/assoc_laguerre.cpp @@ -1,5 +1,5 @@ -#include "module_base/assoc_laguerre.h" -#include "module_base/global_function.h" +#include "source_base/assoc_laguerre.h" +#include "source_base/global_function.h" //#include // use cmath the factorial function #include Assoc_Laguerre::Assoc_Laguerre() diff --git a/source/module_base/assoc_laguerre.h b/source/source_base/assoc_laguerre.h similarity index 100% rename from source/module_base/assoc_laguerre.h rename to source/source_base/assoc_laguerre.h diff --git a/source/module_base/atom_in.h b/source/source_base/atom_in.h similarity index 100% rename from source/module_base/atom_in.h rename to source/source_base/atom_in.h diff --git a/source/module_base/blacs_connector.h b/source/source_base/blacs_connector.h similarity index 100% rename from source/module_base/blacs_connector.h rename to source/source_base/blacs_connector.h diff --git a/source/module_base/blas_connector.h b/source/source_base/blas_connector.h similarity index 99% rename from source/module_base/blas_connector.h rename to source/source_base/blas_connector.h index 7e988fd1bb2..04e59b5116f 100644 --- a/source/module_base/blas_connector.h +++ b/source/source_base/blas_connector.h @@ -2,7 +2,7 @@ #define BLAS_CONNECTOR_H #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #include "macros.h" // These still need to be linked in the header file diff --git a/source/module_base/blas_connector_base.cpp b/source/source_base/blas_connector_base.cpp similarity index 92% rename from source/module_base/blas_connector_base.cpp rename to source/source_base/blas_connector_base.cpp index 1d1a81db949..501b310ff34 100644 --- a/source/module_base/blas_connector_base.cpp +++ b/source/source_base/blas_connector_base.cpp @@ -5,8 +5,8 @@ #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" namespace BlasUtils{ diff --git a/source/module_base/blas_connector_matrix.cpp b/source/source_base/blas_connector_matrix.cpp similarity index 99% rename from source/module_base/blas_connector_matrix.cpp rename to source/source_base/blas_connector_matrix.cpp index 9beb7a7d59c..f679d36dc0b 100644 --- a/source/module_base/blas_connector_matrix.cpp +++ b/source/source_base/blas_connector_matrix.cpp @@ -2,16 +2,16 @@ #include "macros.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #ifdef __CUDA #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" #endif diff --git a/source/module_base/blas_connector_vector.cpp b/source/source_base/blas_connector_vector.cpp similarity index 99% rename from source/module_base/blas_connector_vector.cpp rename to source/source_base/blas_connector_vector.cpp index e87394b6527..1e356f4ecf3 100644 --- a/source/module_base/blas_connector_vector.cpp +++ b/source/source_base/blas_connector_vector.cpp @@ -2,16 +2,16 @@ #include "macros.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #ifdef __CUDA #include #include #include "cublas_v2.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" #endif diff --git a/source/module_base/clebsch_gordan_coeff.cpp b/source/source_base/clebsch_gordan_coeff.cpp similarity index 96% rename from source/module_base/clebsch_gordan_coeff.cpp rename to source/source_base/clebsch_gordan_coeff.cpp index 095fa7e7927..7a62b4dba19 100644 --- a/source/module_base/clebsch_gordan_coeff.cpp +++ b/source/source_base/clebsch_gordan_coeff.cpp @@ -1,8 +1,8 @@ #include "clebsch_gordan_coeff.h" -#include "module_base/constants.h" -#include "module_base/inverse_matrix.h" -#include "module_base/math_ylmreal.h" +#include "source_base/constants.h" +#include "source_base/inverse_matrix.h" +#include "source_base/math_ylmreal.h" namespace ModuleBase { diff --git a/source/module_base/clebsch_gordan_coeff.h b/source/source_base/clebsch_gordan_coeff.h similarity index 93% rename from source/module_base/clebsch_gordan_coeff.h rename to source/source_base/clebsch_gordan_coeff.h index 6f6633bc913..9e29ae5c97f 100644 --- a/source/module_base/clebsch_gordan_coeff.h +++ b/source/source_base/clebsch_gordan_coeff.h @@ -1,10 +1,10 @@ #ifndef CLEBSCH_GORDAN_H #define CLEBSCH_GORDAN_H -#include "module_base/intarray.h" -#include "module_base/matrix.h" -#include "module_base/realarray.h" -#include "module_base/vector3.h" +#include "source_base/intarray.h" +#include "source_base/matrix.h" +#include "source_base/realarray.h" +#include "source_base/vector3.h" namespace ModuleBase { diff --git a/source/module_base/complexarray.cpp b/source/source_base/complexarray.cpp similarity index 100% rename from source/module_base/complexarray.cpp rename to source/source_base/complexarray.cpp diff --git a/source/module_base/complexarray.h b/source/source_base/complexarray.h similarity index 100% rename from source/module_base/complexarray.h rename to source/source_base/complexarray.h diff --git a/source/module_base/complexmatrix.cpp b/source/source_base/complexmatrix.cpp similarity index 100% rename from source/module_base/complexmatrix.cpp rename to source/source_base/complexmatrix.cpp diff --git a/source/module_base/complexmatrix.h b/source/source_base/complexmatrix.h similarity index 100% rename from source/module_base/complexmatrix.h rename to source/source_base/complexmatrix.h diff --git a/source/module_base/constants.h b/source/source_base/constants.h similarity index 100% rename from source/module_base/constants.h rename to source/source_base/constants.h diff --git a/source/module_base/container_operator.h b/source/source_base/container_operator.h similarity index 100% rename from source/module_base/container_operator.h rename to source/source_base/container_operator.h diff --git a/source/module_base/cubic_spline.cpp b/source/source_base/cubic_spline.cpp similarity index 100% rename from source/module_base/cubic_spline.cpp rename to source/source_base/cubic_spline.cpp diff --git a/source/module_base/cubic_spline.h b/source/source_base/cubic_spline.h similarity index 100% rename from source/module_base/cubic_spline.h rename to source/source_base/cubic_spline.h diff --git a/source/module_base/element_basis_index.cpp b/source/source_base/element_basis_index.cpp similarity index 100% rename from source/module_base/element_basis_index.cpp rename to source/source_base/element_basis_index.cpp diff --git a/source/module_base/element_basis_index.h b/source/source_base/element_basis_index.h similarity index 100% rename from source/module_base/element_basis_index.h rename to source/source_base/element_basis_index.h diff --git a/source/module_base/element_covalent_radius.h b/source/source_base/element_covalent_radius.h similarity index 100% rename from source/module_base/element_covalent_radius.h rename to source/source_base/element_covalent_radius.h diff --git a/source/module_base/element_elec_config.h b/source/source_base/element_elec_config.h similarity index 100% rename from source/module_base/element_elec_config.h rename to source/source_base/element_elec_config.h diff --git a/source/module_base/element_name.h b/source/source_base/element_name.h similarity index 100% rename from source/module_base/element_name.h rename to source/source_base/element_name.h diff --git a/source/module_base/export.cpp b/source/source_base/export.cpp similarity index 100% rename from source/module_base/export.cpp rename to source/source_base/export.cpp diff --git a/source/module_base/export.h b/source/source_base/export.h similarity index 100% rename from source/module_base/export.h rename to source/source_base/export.h diff --git a/source/module_base/formatter.h b/source/source_base/formatter.h similarity index 99% rename from source/module_base/formatter.h rename to source/source_base/formatter.h index 5935cd9eeaf..b795979fb6d 100644 --- a/source/module_base/formatter.h +++ b/source/source_base/formatter.h @@ -14,7 +14,7 @@ #include #include #include -#include "module_base/ndarray.h" +#include "source_base/ndarray.h" /** * @brief * diff --git a/source/module_base/gather_math_lib_info.cpp b/source/source_base/gather_math_lib_info.cpp similarity index 97% rename from source/module_base/gather_math_lib_info.cpp rename to source/source_base/gather_math_lib_info.cpp index ad1ed505f9c..6d714c88cc6 100644 --- a/source/module_base/gather_math_lib_info.cpp +++ b/source/source_base/gather_math_lib_info.cpp @@ -8,8 +8,8 @@ Results will output to OUT/math_info.log, see ModuleBase::Global_File::make_dir_ #include #undef GATHER_INFO -#include "module_base/blas_connector.h" -#include "module_base/lapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/lapack_connector.h" #include diff --git a/source/module_base/global_file.cpp b/source/source_base/global_file.cpp similarity index 99% rename from source/module_base/global_file.cpp rename to source/source_base/global_file.cpp index b5d7bcb8c50..144219b1b3f 100644 --- a/source/module_base/global_file.cpp +++ b/source/source_base/global_file.cpp @@ -13,8 +13,8 @@ #include "global_function.h" #include "module_parameter/parameter.h" #include "global_variable.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" //---------------------------------------------------------- // EXPLAIN : Be Called in input.cpp diff --git a/source/module_base/global_file.h b/source/source_base/global_file.h similarity index 100% rename from source/module_base/global_file.h rename to source/source_base/global_file.h diff --git a/source/module_base/global_function-func_each_2.h b/source/source_base/global_function-func_each_2.h similarity index 100% rename from source/module_base/global_function-func_each_2.h rename to source/source_base/global_function-func_each_2.h diff --git a/source/module_base/global_function.cpp b/source/source_base/global_function.cpp similarity index 99% rename from source/module_base/global_function.cpp rename to source/source_base/global_function.cpp index 452408f88b9..b51315e1588 100644 --- a/source/module_base/global_function.cpp +++ b/source/source_base/global_function.cpp @@ -3,7 +3,7 @@ //========================================================== #include "global_function.h" -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "global_file.h" //========================================================== diff --git a/source/module_base/global_function.h b/source/source_base/global_function.h similarity index 100% rename from source/module_base/global_function.h rename to source/source_base/global_function.h diff --git a/source/module_base/global_function_ddotreal.cpp b/source/source_base/global_function_ddotreal.cpp similarity index 97% rename from source/module_base/global_function_ddotreal.cpp rename to source/source_base/global_function_ddotreal.cpp index 1a401191f58..5f2c20f79a4 100644 --- a/source/module_base/global_function_ddotreal.cpp +++ b/source/source_base/global_function_ddotreal.cpp @@ -1,6 +1,6 @@ #include "blas_connector.h" #include "global_function.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/global_variable.cpp b/source/source_base/global_variable.cpp similarity index 100% rename from source/module_base/global_variable.cpp rename to source/source_base/global_variable.cpp diff --git a/source/module_base/global_variable.h b/source/source_base/global_variable.h similarity index 100% rename from source/module_base/global_variable.h rename to source/source_base/global_variable.h diff --git a/source/module_base/gram_schmidt_orth-inl.h b/source/source_base/gram_schmidt_orth-inl.h similarity index 100% rename from source/module_base/gram_schmidt_orth-inl.h rename to source/source_base/gram_schmidt_orth-inl.h diff --git a/source/module_base/gram_schmidt_orth.h b/source/source_base/gram_schmidt_orth.h similarity index 100% rename from source/module_base/gram_schmidt_orth.h rename to source/source_base/gram_schmidt_orth.h diff --git a/source/module_base/grid/batch.cpp b/source/source_base/grid/batch.cpp similarity index 97% rename from source/module_base/grid/batch.cpp rename to source/source_base/grid/batch.cpp index 832323e62af..ec461db6559 100644 --- a/source/module_base/grid/batch.cpp +++ b/source/source_base/grid/batch.cpp @@ -1,11 +1,11 @@ -#include "module_base/grid/batch.h" +#include "source_base/grid/batch.h" #include #include #include -#include "module_base/blas_connector.h" -#include "module_base/lapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/lapack_connector.h" namespace { diff --git a/source/module_base/grid/batch.h b/source/source_base/grid/batch.h similarity index 100% rename from source/module_base/grid/batch.h rename to source/source_base/grid/batch.h diff --git a/source/module_base/grid/delley.cpp b/source/source_base/grid/delley.cpp similarity index 99% rename from source/module_base/grid/delley.cpp rename to source/source_base/grid/delley.cpp index c24aa6ffbbf..a170ff04f70 100644 --- a/source/module_base/grid/delley.cpp +++ b/source/source_base/grid/delley.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/delley.h" +#include "source_base/grid/delley.h" #include #include diff --git a/source/module_base/grid/delley.h b/source/source_base/grid/delley.h similarity index 100% rename from source/module_base/grid/delley.h rename to source/source_base/grid/delley.h diff --git a/source/module_base/grid/partition.cpp b/source/source_base/grid/partition.cpp similarity index 97% rename from source/module_base/grid/partition.cpp rename to source/source_base/grid/partition.cpp index 20ce3edb265..8b474fd1165 100644 --- a/source/module_base/grid/partition.cpp +++ b/source/source_base/grid/partition.cpp @@ -1,5 +1,5 @@ -#include "module_base/grid/partition.h" -#include "module_base/constants.h" +#include "source_base/grid/partition.h" +#include "source_base/constants.h" #include #include diff --git a/source/module_base/grid/partition.h b/source/source_base/grid/partition.h similarity index 100% rename from source/module_base/grid/partition.h rename to source/source_base/grid/partition.h diff --git a/source/module_base/grid/radial.cpp b/source/source_base/grid/radial.cpp similarity index 98% rename from source/module_base/grid/radial.cpp rename to source/source_base/grid/radial.cpp index 6b34ec953dc..6baf40c3e87 100644 --- a/source/module_base/grid/radial.cpp +++ b/source/source_base/grid/radial.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/radial.h" +#include "source_base/grid/radial.h" #include diff --git a/source/module_base/grid/radial.h b/source/source_base/grid/radial.h similarity index 100% rename from source/module_base/grid/radial.h rename to source/source_base/grid/radial.h diff --git a/source/module_base/grid/test/CMakeLists.txt b/source/source_base/grid/test/CMakeLists.txt similarity index 100% rename from source/module_base/grid/test/CMakeLists.txt rename to source/source_base/grid/test/CMakeLists.txt diff --git a/source/module_base/grid/test/test_batch.cpp b/source/source_base/grid/test/test_batch.cpp similarity index 99% rename from source/module_base/grid/test/test_batch.cpp rename to source/source_base/grid/test/test_batch.cpp index 74324bc47bc..74c3d943862 100644 --- a/source/module_base/grid/test/test_batch.cpp +++ b/source/source_base/grid/test/test_batch.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/batch.h" +#include "source_base/grid/batch.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_delley.cpp b/source/source_base/grid/test/test_delley.cpp similarity index 98% rename from source/module_base/grid/test/test_delley.cpp rename to source/source_base/grid/test/test_delley.cpp index 2aa9b38df0f..88647fd6c00 100644 --- a/source/module_base/grid/test/test_delley.cpp +++ b/source/source_base/grid/test/test_delley.cpp @@ -1,5 +1,5 @@ -#include "module_base/grid/delley.h" -#include "module_base/ylm.h" +#include "source_base/grid/delley.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_partition.cpp b/source/source_base/grid/test/test_partition.cpp similarity index 98% rename from source/module_base/grid/test/test_partition.cpp rename to source/source_base/grid/test/test_partition.cpp index 057f4c43da4..8f2535de3b1 100644 --- a/source/module_base/grid/test/test_partition.cpp +++ b/source/source_base/grid/test/test_partition.cpp @@ -1,7 +1,7 @@ -#include "module_base/grid/partition.h" -#include "module_base/grid/radial.h" -#include "module_base/grid/delley.h" -#include "module_base/constants.h" +#include "source_base/grid/partition.h" +#include "source_base/grid/radial.h" +#include "source_base/grid/delley.h" +#include "source_base/constants.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/grid/test/test_radial.cpp b/source/source_base/grid/test/test_radial.cpp similarity index 98% rename from source/module_base/grid/test/test_radial.cpp rename to source/source_base/grid/test/test_radial.cpp index 6cdd4c4841a..4635a41e546 100644 --- a/source/module_base/grid/test/test_radial.cpp +++ b/source/source_base/grid/test/test_radial.cpp @@ -1,4 +1,4 @@ -#include "module_base/grid/radial.h" +#include "source_base/grid/radial.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/intarray.cpp b/source/source_base/intarray.cpp similarity index 100% rename from source/module_base/intarray.cpp rename to source/source_base/intarray.cpp diff --git a/source/module_base/intarray.h b/source/source_base/intarray.h similarity index 100% rename from source/module_base/intarray.h rename to source/source_base/intarray.h diff --git a/source/module_base/inverse_matrix.cpp b/source/source_base/inverse_matrix.cpp similarity index 100% rename from source/module_base/inverse_matrix.cpp rename to source/source_base/inverse_matrix.cpp diff --git a/source/module_base/inverse_matrix.h b/source/source_base/inverse_matrix.h similarity index 100% rename from source/module_base/inverse_matrix.h rename to source/source_base/inverse_matrix.h diff --git a/source/module_base/kernels/cuda/math_kernel_op.cu b/source/source_base/kernels/cuda/math_kernel_op.cu similarity index 99% rename from source/module_base/kernels/cuda/math_kernel_op.cu rename to source/source_base/kernels/cuda/math_kernel_op.cu index 3a42767925b..9d3aa6f3191 100644 --- a/source/module_base/kernels/cuda/math_kernel_op.cu +++ b/source/source_base/kernels/cuda/math_kernel_op.cu @@ -1,7 +1,7 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/kernels/cuda/math_kernel_op_vec.cu b/source/source_base/kernels/cuda/math_kernel_op_vec.cu similarity index 99% rename from source/module_base/kernels/cuda/math_kernel_op_vec.cu rename to source/source_base/kernels/cuda/math_kernel_op_vec.cu index 182d4c54d92..577f503d8eb 100644 --- a/source/module_base/kernels/cuda/math_kernel_op_vec.cu +++ b/source/source_base/kernels/cuda/math_kernel_op_vec.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/cuda/math_ylm_op.cu b/source/source_base/kernels/cuda/math_ylm_op.cu similarity index 99% rename from source/module_base/kernels/cuda/math_ylm_op.cu rename to source/source_base/kernels/cuda/math_ylm_op.cu index 390f22b93bf..559d8bfc2de 100644 --- a/source/module_base/kernels/cuda/math_ylm_op.cu +++ b/source/source_base/kernels/cuda/math_ylm_op.cu @@ -1,5 +1,5 @@ #include -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" #include diff --git a/source/module_base/kernels/dsp/dsp_connector.cpp b/source/source_base/kernels/dsp/dsp_connector.cpp similarity index 100% rename from source/module_base/kernels/dsp/dsp_connector.cpp rename to source/source_base/kernels/dsp/dsp_connector.cpp diff --git a/source/module_base/kernels/dsp/dsp_connector.h b/source/source_base/kernels/dsp/dsp_connector.h similarity index 98% rename from source/module_base/kernels/dsp/dsp_connector.h rename to source/source_base/kernels/dsp/dsp_connector.h index ef7eb0bdc87..34ccbaec4b9 100644 --- a/source/module_base/kernels/dsp/dsp_connector.h +++ b/source/source_base/kernels/dsp/dsp_connector.h @@ -2,8 +2,8 @@ #define DSP_CONNECTOR_H #ifdef __DSP -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include "source_hsolver/diag_comm_info.h" namespace mtfunc diff --git a/source/module_base/kernels/math_kernel_op.cpp b/source/source_base/kernels/math_kernel_op.cpp similarity index 98% rename from source/module_base/kernels/math_kernel_op.cpp rename to source/source_base/kernels/math_kernel_op.cpp index 9c4ccdc42b0..9f57b51cb89 100644 --- a/source/module_base/kernels/math_kernel_op.cpp +++ b/source/source_base/kernels/math_kernel_op.cpp @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/math_kernel_op.h b/source/source_base/kernels/math_kernel_op.h similarity index 98% rename from source/module_base/kernels/math_kernel_op.h rename to source/source_base/kernels/math_kernel_op.h index d26e96171c0..be6d6ff863a 100644 --- a/source/module_base/kernels/math_kernel_op.h +++ b/source/source_base/kernels/math_kernel_op.h @@ -3,13 +3,13 @@ #ifndef MODULE_HSOLVER_MATH_KERNEL_H #define MODULE_HSOLVER_MATH_KERNEL_H -#include "module_base/macros.h" +#include "source_base/macros.h" -#include "module_base/blas_connector.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/parallel_reduce.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" #if defined(__CUDA) || defined(__UT_USE_CUDA) #include diff --git a/source/module_base/kernels/math_kernel_op_vec.cpp b/source/source_base/kernels/math_kernel_op_vec.cpp similarity index 99% rename from source/module_base/kernels/math_kernel_op_vec.cpp rename to source/source_base/kernels/math_kernel_op_vec.cpp index 605f97ff19d..6d35a956e1a 100644 --- a/source/module_base/kernels/math_kernel_op_vec.cpp +++ b/source/source_base/kernels/math_kernel_op_vec.cpp @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace ModuleBase { diff --git a/source/module_base/kernels/math_ylm_op.cpp b/source/source_base/kernels/math_ylm_op.cpp similarity index 98% rename from source/module_base/kernels/math_ylm_op.cpp rename to source/source_base/kernels/math_ylm_op.cpp index 0846801797a..833f84d4086 100644 --- a/source/module_base/kernels/math_ylm_op.cpp +++ b/source/source_base/kernels/math_ylm_op.cpp @@ -1,5 +1,5 @@ -#include "module_base/kernels/math_ylm_op.h" -#include "module_base/libm/libm.h" +#include "source_base/kernels/math_ylm_op.h" +#include "source_base/libm/libm.h" namespace ModuleBase { diff --git a/source/module_base/kernels/math_ylm_op.h b/source/source_base/kernels/math_ylm_op.h similarity index 100% rename from source/module_base/kernels/math_ylm_op.h rename to source/source_base/kernels/math_ylm_op.h diff --git a/source/module_base/kernels/rocm/math_kernel_op.hip.cu b/source/source_base/kernels/rocm/math_kernel_op.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_kernel_op.hip.cu rename to source/source_base/kernels/rocm/math_kernel_op.hip.cu index 1211b76b6d8..28c742ff077 100644 --- a/source/module_base/kernels/rocm/math_kernel_op.hip.cu +++ b/source/source_base/kernels/rocm/math_kernel_op.hip.cu @@ -1,7 +1,7 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_psi/psi.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu b/source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu rename to source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu index 9e05160c54e..31c75f8fbd6 100644 --- a/source/module_base/kernels/rocm/math_kernel_op_vec.hip.cu +++ b/source/source_base/kernels/rocm/math_kernel_op_vec.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/rocm/math_ylm_op.hip.cu b/source/source_base/kernels/rocm/math_ylm_op.hip.cu similarity index 99% rename from source/module_base/kernels/rocm/math_ylm_op.hip.cu rename to source/source_base/kernels/rocm/math_ylm_op.hip.cu index 8cfdac4a397..db64d9c9de3 100644 --- a/source/module_base/kernels/rocm/math_ylm_op.hip.cu +++ b/source/source_base/kernels/rocm/math_ylm_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" #include #include diff --git a/source/module_base/kernels/test/CMakeLists.txt b/source/source_base/kernels/test/CMakeLists.txt similarity index 100% rename from source/module_base/kernels/test/CMakeLists.txt rename to source/source_base/kernels/test/CMakeLists.txt diff --git a/source/module_base/kernels/test/math_kernel_test.cpp b/source/source_base/kernels/test/math_kernel_test.cpp similarity index 99% rename from source/module_base/kernels/test/math_kernel_test.cpp rename to source/source_base/kernels/test/math_kernel_test.cpp index 38a7b6f9d97..12b6d38dc78 100644 --- a/source/module_base/kernels/test/math_kernel_test.cpp +++ b/source/source_base/kernels/test/math_kernel_test.cpp @@ -1,7 +1,7 @@ -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/module_base/kernels/test/math_ylm_op_test.cpp b/source/source_base/kernels/test/math_ylm_op_test.cpp similarity index 99% rename from source/module_base/kernels/test/math_ylm_op_test.cpp rename to source/source_base/kernels/test/math_ylm_op_test.cpp index 5da30d81111..52cee9bba9a 100644 --- a/source/module_base/kernels/test/math_ylm_op_test.cpp +++ b/source/source_base/kernels/test/math_ylm_op_test.cpp @@ -1,6 +1,6 @@ -#include "module_base/kernels/math_ylm_op.h" +#include "source_base/kernels/math_ylm_op.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/lapack_connector.h b/source/source_base/lapack_connector.h similarity index 100% rename from source/module_base/lapack_connector.h rename to source/source_base/lapack_connector.h diff --git a/source/module_base/lapack_wrapper.h b/source/source_base/lapack_wrapper.h similarity index 100% rename from source/module_base/lapack_wrapper.h rename to source/source_base/lapack_wrapper.h diff --git a/source/module_base/libm/LICENCE b/source/source_base/libm/LICENCE similarity index 100% rename from source/module_base/libm/LICENCE rename to source/source_base/libm/LICENCE diff --git a/source/module_base/libm/README.md b/source/source_base/libm/README.md similarity index 100% rename from source/module_base/libm/README.md rename to source/source_base/libm/README.md diff --git a/source/module_base/libm/branred.cpp b/source/source_base/libm/branred.cpp similarity index 100% rename from source/module_base/libm/branred.cpp rename to source/source_base/libm/branred.cpp diff --git a/source/module_base/libm/cexp.cpp b/source/source_base/libm/cexp.cpp similarity index 100% rename from source/module_base/libm/cexp.cpp rename to source/source_base/libm/cexp.cpp diff --git a/source/module_base/libm/exp.cpp b/source/source_base/libm/exp.cpp similarity index 100% rename from source/module_base/libm/exp.cpp rename to source/source_base/libm/exp.cpp diff --git a/source/module_base/libm/libm.h b/source/source_base/libm/libm.h similarity index 100% rename from source/module_base/libm/libm.h rename to source/source_base/libm/libm.h diff --git a/source/module_base/libm/sincos.cpp b/source/source_base/libm/sincos.cpp similarity index 100% rename from source/module_base/libm/sincos.cpp rename to source/source_base/libm/sincos.cpp diff --git a/source/module_base/libm/test/CMakeLists.txt b/source/source_base/libm/test/CMakeLists.txt similarity index 100% rename from source/module_base/libm/test/CMakeLists.txt rename to source/source_base/libm/test/CMakeLists.txt diff --git a/source/module_base/libm/test/libm_test.cpp b/source/source_base/libm/test/libm_test.cpp similarity index 100% rename from source/module_base/libm/test/libm_test.cpp rename to source/source_base/libm/test/libm_test.cpp diff --git a/source/module_base/macros.h b/source/source_base/macros.h similarity index 100% rename from source/module_base/macros.h rename to source/source_base/macros.h diff --git a/source/module_base/main.cpp b/source/source_base/main.cpp similarity index 100% rename from source/module_base/main.cpp rename to source/source_base/main.cpp diff --git a/source/module_base/math_bspline.cpp b/source/source_base/math_bspline.cpp similarity index 100% rename from source/module_base/math_bspline.cpp rename to source/source_base/math_bspline.cpp diff --git a/source/module_base/math_bspline.h b/source/source_base/math_bspline.h similarity index 100% rename from source/module_base/math_bspline.h rename to source/source_base/math_bspline.h diff --git a/source/module_base/math_chebyshev.cpp b/source/source_base/math_chebyshev.cpp similarity index 99% rename from source/module_base/math_chebyshev.cpp rename to source/source_base/math_chebyshev.cpp index 60bb560f05b..b54d4deefe9 100644 --- a/source/module_base/math_chebyshev.cpp +++ b/source/source_base/math_chebyshev.cpp @@ -3,7 +3,7 @@ #include "blas_connector.h" #include "constants.h" #include "global_function.h" -#include "module_base/module_container/ATen/kernels/blas.h" +#include "source_base/module_container/ATen/kernels/blas.h" #include "tool_quit.h" #include diff --git a/source/module_base/math_chebyshev.h b/source/source_base/math_chebyshev.h similarity index 98% rename from source/module_base/math_chebyshev.h rename to source/source_base/math_chebyshev.h index 122f2021e98..581e35eed8b 100644 --- a/source/module_base/math_chebyshev.h +++ b/source/source_base/math_chebyshev.h @@ -1,9 +1,9 @@ #ifndef STO_CHEBYCHEV_H #define STO_CHEBYCHEV_H #include "fftw3.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_container/ATen/core/tensor_types.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_container/ATen/core/tensor_types.h" #include #include diff --git a/source/module_base/math_erf_complex.cpp b/source/source_base/math_erf_complex.cpp similarity index 100% rename from source/module_base/math_erf_complex.cpp rename to source/source_base/math_erf_complex.cpp diff --git a/source/module_base/math_erf_complex.h b/source/source_base/math_erf_complex.h similarity index 100% rename from source/module_base/math_erf_complex.h rename to source/source_base/math_erf_complex.h diff --git a/source/module_base/math_integral.cpp b/source/source_base/math_integral.cpp similarity index 100% rename from source/module_base/math_integral.cpp rename to source/source_base/math_integral.cpp diff --git a/source/module_base/math_integral.h b/source/source_base/math_integral.h similarity index 100% rename from source/module_base/math_integral.h rename to source/source_base/math_integral.h diff --git a/source/module_base/math_lebedev_laikov.cpp b/source/source_base/math_lebedev_laikov.cpp similarity index 100% rename from source/module_base/math_lebedev_laikov.cpp rename to source/source_base/math_lebedev_laikov.cpp diff --git a/source/module_base/math_lebedev_laikov.h b/source/source_base/math_lebedev_laikov.h similarity index 100% rename from source/module_base/math_lebedev_laikov.h rename to source/source_base/math_lebedev_laikov.h diff --git a/source/module_base/math_polyint.cpp b/source/source_base/math_polyint.cpp similarity index 100% rename from source/module_base/math_polyint.cpp rename to source/source_base/math_polyint.cpp diff --git a/source/module_base/math_polyint.h b/source/source_base/math_polyint.h similarity index 100% rename from source/module_base/math_polyint.h rename to source/source_base/math_polyint.h diff --git a/source/module_base/math_sphbes.cpp b/source/source_base/math_sphbes.cpp similarity index 100% rename from source/module_base/math_sphbes.cpp rename to source/source_base/math_sphbes.cpp diff --git a/source/module_base/math_sphbes.h b/source/source_base/math_sphbes.h similarity index 100% rename from source/module_base/math_sphbes.h rename to source/source_base/math_sphbes.h diff --git a/source/module_base/math_ylmreal.cpp b/source/source_base/math_ylmreal.cpp similarity index 99% rename from source/module_base/math_ylmreal.cpp rename to source/source_base/math_ylmreal.cpp index 69c79dc0893..3a11f954388 100644 --- a/source/module_base/math_ylmreal.cpp +++ b/source/source_base/math_ylmreal.cpp @@ -1,10 +1,10 @@ #include "math_ylmreal.h" #include "constants.h" -#include "module_base/kernels/math_ylm_op.h" -#include "module_base/libm/libm.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/array_pool.h" +#include "source_base/kernels/math_ylm_op.h" +#include "source_base/libm/libm.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/array_pool.h" #include "realarray.h" #include "timer.h" #include "tool_quit.h" diff --git a/source/module_base/math_ylmreal.h b/source/source_base/math_ylmreal.h similarity index 100% rename from source/module_base/math_ylmreal.h rename to source/source_base/math_ylmreal.h diff --git a/source/module_base/mathzone.h b/source/source_base/mathzone.h similarity index 100% rename from source/module_base/mathzone.h rename to source/source_base/mathzone.h diff --git a/source/module_base/mathzone_add1.cpp b/source/source_base/mathzone_add1.cpp similarity index 100% rename from source/module_base/mathzone_add1.cpp rename to source/source_base/mathzone_add1.cpp diff --git a/source/module_base/mathzone_add1.h b/source/source_base/mathzone_add1.h similarity index 100% rename from source/module_base/mathzone_add1.h rename to source/source_base/mathzone_add1.h diff --git a/source/module_base/matrix-inl.h b/source/source_base/matrix-inl.h similarity index 100% rename from source/module_base/matrix-inl.h rename to source/source_base/matrix-inl.h diff --git a/source/module_base/matrix.cpp b/source/source_base/matrix.cpp similarity index 100% rename from source/module_base/matrix.cpp rename to source/source_base/matrix.cpp diff --git a/source/module_base/matrix.h b/source/source_base/matrix.h similarity index 100% rename from source/module_base/matrix.h rename to source/source_base/matrix.h diff --git a/source/module_base/matrix3.cpp b/source/source_base/matrix3.cpp similarity index 100% rename from source/module_base/matrix3.cpp rename to source/source_base/matrix3.cpp diff --git a/source/module_base/matrix3.h b/source/source_base/matrix3.h similarity index 100% rename from source/module_base/matrix3.h rename to source/source_base/matrix3.h diff --git a/source/module_base/matrix_wrapper.h b/source/source_base/matrix_wrapper.h similarity index 100% rename from source/module_base/matrix_wrapper.h rename to source/source_base/matrix_wrapper.h diff --git a/source/module_base/matrix_wrapper_tianhe2.h b/source/source_base/matrix_wrapper_tianhe2.h similarity index 100% rename from source/module_base/matrix_wrapper_tianhe2.h rename to source/source_base/matrix_wrapper_tianhe2.h diff --git a/source/module_base/mcd.c b/source/source_base/mcd.c similarity index 100% rename from source/module_base/mcd.c rename to source/source_base/mcd.c diff --git a/source/module_base/mcd.h b/source/source_base/mcd.h similarity index 100% rename from source/module_base/mcd.h rename to source/source_base/mcd.h diff --git a/source/module_base/memory.cpp b/source/source_base/memory.cpp similarity index 99% rename from source/module_base/memory.cpp rename to source/source_base/memory.cpp index 3f8fe287afd..4505bcdb71e 100644 --- a/source/module_base/memory.cpp +++ b/source/source_base/memory.cpp @@ -5,7 +5,7 @@ #include #include "memory.h" #include "global_variable.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/memory.h b/source/source_base/memory.h similarity index 100% rename from source/module_base/memory.h rename to source/source_base/memory.h diff --git a/source/module_base/module_container/ATen/core/CMakeLists.txt b/source/source_base/module_container/ATen/core/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/core/CMakeLists.txt rename to source/source_base/module_container/ATen/core/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/core/tensor.cpp b/source/source_base/module_container/ATen/core/tensor.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor.cpp rename to source/source_base/module_container/ATen/core/tensor.cpp diff --git a/source/module_base/module_container/ATen/core/tensor.h b/source/source_base/module_container/ATen/core/tensor.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor.h rename to source/source_base/module_container/ATen/core/tensor.h diff --git a/source/module_base/module_container/ATen/core/tensor_accessor.h b/source/source_base/module_container/ATen/core/tensor_accessor.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_accessor.h rename to source/source_base/module_container/ATen/core/tensor_accessor.h diff --git a/source/module_base/module_container/ATen/core/tensor_buffer.cpp b/source/source_base/module_container/ATen/core/tensor_buffer.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_buffer.cpp rename to source/source_base/module_container/ATen/core/tensor_buffer.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_buffer.h b/source/source_base/module_container/ATen/core/tensor_buffer.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_buffer.h rename to source/source_base/module_container/ATen/core/tensor_buffer.h diff --git a/source/module_base/module_container/ATen/core/tensor_map.cpp b/source/source_base/module_container/ATen/core/tensor_map.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_map.cpp rename to source/source_base/module_container/ATen/core/tensor_map.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_map.h b/source/source_base/module_container/ATen/core/tensor_map.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_map.h rename to source/source_base/module_container/ATen/core/tensor_map.h diff --git a/source/module_base/module_container/ATen/core/tensor_shape.cpp b/source/source_base/module_container/ATen/core/tensor_shape.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_shape.cpp rename to source/source_base/module_container/ATen/core/tensor_shape.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_shape.h b/source/source_base/module_container/ATen/core/tensor_shape.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_shape.h rename to source/source_base/module_container/ATen/core/tensor_shape.h diff --git a/source/module_base/module_container/ATen/core/tensor_types.cpp b/source/source_base/module_container/ATen/core/tensor_types.cpp similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_types.cpp rename to source/source_base/module_container/ATen/core/tensor_types.cpp diff --git a/source/module_base/module_container/ATen/core/tensor_types.h b/source/source_base/module_container/ATen/core/tensor_types.h similarity index 99% rename from source/module_base/module_container/ATen/core/tensor_types.h rename to source/source_base/module_container/ATen/core/tensor_types.h index b60080f2bae..b87907825ac 100644 --- a/source/module_base/module_container/ATen/core/tensor_types.h +++ b/source/source_base/module_container/ATen/core/tensor_types.h @@ -18,7 +18,7 @@ #include #include -#include "module_base/module_device/types.h" +#include "source_base/module_device/types.h" #if defined(__CUDACC__) #include diff --git a/source/module_base/module_container/ATen/core/tensor_utils.h b/source/source_base/module_container/ATen/core/tensor_utils.h similarity index 100% rename from source/module_base/module_container/ATen/core/tensor_utils.h rename to source/source_base/module_container/ATen/core/tensor_utils.h diff --git a/source/module_base/module_container/ATen/kernels/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/kernels/CMakeLists.txt rename to source/source_base/module_container/ATen/kernels/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/kernels/blas.cpp b/source/source_base/module_container/ATen/kernels/blas.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/blas.cpp rename to source/source_base/module_container/ATen/kernels/blas.cpp diff --git a/source/module_base/module_container/ATen/kernels/blas.h b/source/source_base/module_container/ATen/kernels/blas.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/blas.h rename to source/source_base/module_container/ATen/kernels/blas.h diff --git a/source/module_base/module_container/ATen/kernels/cuda/blas.cu b/source/source_base/module_container/ATen/kernels/cuda/blas.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/blas.cu rename to source/source_base/module_container/ATen/kernels/cuda/blas.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/lapack.cu b/source/source_base/module_container/ATen/kernels/cuda/lapack.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/lapack.cu rename to source/source_base/module_container/ATen/kernels/cuda/lapack.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/linalg.cu b/source/source_base/module_container/ATen/kernels/cuda/linalg.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/linalg.cu rename to source/source_base/module_container/ATen/kernels/cuda/linalg.cu diff --git a/source/module_base/module_container/ATen/kernels/cuda/memory.cu b/source/source_base/module_container/ATen/kernels/cuda/memory.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/cuda/memory.cu rename to source/source_base/module_container/ATen/kernels/cuda/memory.cu diff --git a/source/module_base/module_container/ATen/kernels/lapack.cpp b/source/source_base/module_container/ATen/kernels/lapack.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/lapack.cpp rename to source/source_base/module_container/ATen/kernels/lapack.cpp diff --git a/source/module_base/module_container/ATen/kernels/lapack.h b/source/source_base/module_container/ATen/kernels/lapack.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/lapack.h rename to source/source_base/module_container/ATen/kernels/lapack.h diff --git a/source/module_base/module_container/ATen/kernels/linalg.cpp b/source/source_base/module_container/ATen/kernels/linalg.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/linalg.cpp rename to source/source_base/module_container/ATen/kernels/linalg.cpp diff --git a/source/module_base/module_container/ATen/kernels/linalg.h b/source/source_base/module_container/ATen/kernels/linalg.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/linalg.h rename to source/source_base/module_container/ATen/kernels/linalg.h diff --git a/source/module_base/module_container/ATen/kernels/memory.h b/source/source_base/module_container/ATen/kernels/memory.h similarity index 100% rename from source/module_base/module_container/ATen/kernels/memory.h rename to source/source_base/module_container/ATen/kernels/memory.h diff --git a/source/module_base/module_container/ATen/kernels/memory_impl.cpp b/source/source_base/module_container/ATen/kernels/memory_impl.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/memory_impl.cpp rename to source/source_base/module_container/ATen/kernels/memory_impl.cpp diff --git a/source/module_base/module_container/ATen/kernels/rocm/blas.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/blas.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/blas.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/blas.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/lapack.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/lapack.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/lapack.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/lapack.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/linalg.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/linalg.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/linalg.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/linalg.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/rocm/memory.hip.cu b/source/source_base/module_container/ATen/kernels/rocm/memory.hip.cu similarity index 100% rename from source/module_base/module_container/ATen/kernels/rocm/memory.hip.cu rename to source/source_base/module_container/ATen/kernels/rocm/memory.hip.cu diff --git a/source/module_base/module_container/ATen/kernels/test/CMakeLists.txt b/source/source_base/module_container/ATen/kernels/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/CMakeLists.txt rename to source/source_base/module_container/ATen/kernels/test/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/kernels/test/blas_test.cpp b/source/source_base/module_container/ATen/kernels/test/blas_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/blas_test.cpp rename to source/source_base/module_container/ATen/kernels/test/blas_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/lapack_test.cpp b/source/source_base/module_container/ATen/kernels/test/lapack_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/lapack_test.cpp rename to source/source_base/module_container/ATen/kernels/test/lapack_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/linalg_test.cpp b/source/source_base/module_container/ATen/kernels/test/linalg_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/linalg_test.cpp rename to source/source_base/module_container/ATen/kernels/test/linalg_test.cpp diff --git a/source/module_base/module_container/ATen/kernels/test/memory_test.cpp b/source/source_base/module_container/ATen/kernels/test/memory_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/kernels/test/memory_test.cpp rename to source/source_base/module_container/ATen/kernels/test/memory_test.cpp diff --git a/source/module_base/module_container/ATen/ops/CMakeLists.txt b/source/source_base/module_container/ATen/ops/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/ops/CMakeLists.txt rename to source/source_base/module_container/ATen/ops/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/ops/einsum_op.cpp b/source/source_base/module_container/ATen/ops/einsum_op.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/einsum_op.cpp rename to source/source_base/module_container/ATen/ops/einsum_op.cpp diff --git a/source/module_base/module_container/ATen/ops/einsum_op.h b/source/source_base/module_container/ATen/ops/einsum_op.h similarity index 100% rename from source/module_base/module_container/ATen/ops/einsum_op.h rename to source/source_base/module_container/ATen/ops/einsum_op.h diff --git a/source/module_base/module_container/ATen/ops/linalg_op.cpp b/source/source_base/module_container/ATen/ops/linalg_op.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/linalg_op.cpp rename to source/source_base/module_container/ATen/ops/linalg_op.cpp diff --git a/source/module_base/module_container/ATen/ops/linalg_op.h b/source/source_base/module_container/ATen/ops/linalg_op.h similarity index 100% rename from source/module_base/module_container/ATen/ops/linalg_op.h rename to source/source_base/module_container/ATen/ops/linalg_op.h diff --git a/source/module_base/module_container/ATen/ops/test/CMakeLists.txt b/source/source_base/module_container/ATen/ops/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/ATen/ops/test/CMakeLists.txt rename to source/source_base/module_container/ATen/ops/test/CMakeLists.txt diff --git a/source/module_base/module_container/ATen/ops/test/einsum_op_test.cpp b/source/source_base/module_container/ATen/ops/test/einsum_op_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/test/einsum_op_test.cpp rename to source/source_base/module_container/ATen/ops/test/einsum_op_test.cpp diff --git a/source/module_base/module_container/ATen/ops/test/linalg_op_test.cpp b/source/source_base/module_container/ATen/ops/test/linalg_op_test.cpp similarity index 100% rename from source/module_base/module_container/ATen/ops/test/linalg_op_test.cpp rename to source/source_base/module_container/ATen/ops/test/linalg_op_test.cpp diff --git a/source/module_base/module_container/ATen/tensor.h b/source/source_base/module_container/ATen/tensor.h similarity index 100% rename from source/module_base/module_container/ATen/tensor.h rename to source/source_base/module_container/ATen/tensor.h diff --git a/source/module_base/module_container/CMakeLists.txt b/source/source_base/module_container/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/CMakeLists.txt rename to source/source_base/module_container/CMakeLists.txt diff --git a/source/module_base/module_container/base/core/CMakeLists.txt b/source/source_base/module_container/base/core/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/base/core/CMakeLists.txt rename to source/source_base/module_container/base/core/CMakeLists.txt diff --git a/source/module_base/module_container/base/core/allocator.h b/source/source_base/module_container/base/core/allocator.h similarity index 100% rename from source/module_base/module_container/base/core/allocator.h rename to source/source_base/module_container/base/core/allocator.h diff --git a/source/module_base/module_container/base/core/bfc_allocator.h b/source/source_base/module_container/base/core/bfc_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/bfc_allocator.h rename to source/source_base/module_container/base/core/bfc_allocator.h diff --git a/source/module_base/module_container/base/core/cpu_allocator.cpp b/source/source_base/module_container/base/core/cpu_allocator.cpp similarity index 100% rename from source/module_base/module_container/base/core/cpu_allocator.cpp rename to source/source_base/module_container/base/core/cpu_allocator.cpp diff --git a/source/module_base/module_container/base/core/cpu_allocator.h b/source/source_base/module_container/base/core/cpu_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/cpu_allocator.h rename to source/source_base/module_container/base/core/cpu_allocator.h diff --git a/source/module_base/module_container/base/core/gpu_allocator.cpp b/source/source_base/module_container/base/core/gpu_allocator.cpp similarity index 100% rename from source/module_base/module_container/base/core/gpu_allocator.cpp rename to source/source_base/module_container/base/core/gpu_allocator.cpp diff --git a/source/module_base/module_container/base/core/gpu_allocator.h b/source/source_base/module_container/base/core/gpu_allocator.h similarity index 100% rename from source/module_base/module_container/base/core/gpu_allocator.h rename to source/source_base/module_container/base/core/gpu_allocator.h diff --git a/source/module_base/module_container/base/core/refcount.cpp b/source/source_base/module_container/base/core/refcount.cpp similarity index 100% rename from source/module_base/module_container/base/core/refcount.cpp rename to source/source_base/module_container/base/core/refcount.cpp diff --git a/source/module_base/module_container/base/core/refcount.h b/source/source_base/module_container/base/core/refcount.h similarity index 100% rename from source/module_base/module_container/base/core/refcount.h rename to source/source_base/module_container/base/core/refcount.h diff --git a/source/module_base/module_container/base/macros/cuda.h b/source/source_base/module_container/base/macros/cuda.h similarity index 100% rename from source/module_base/module_container/base/macros/cuda.h rename to source/source_base/module_container/base/macros/cuda.h diff --git a/source/module_base/module_container/base/macros/macros.h b/source/source_base/module_container/base/macros/macros.h similarity index 100% rename from source/module_base/module_container/base/macros/macros.h rename to source/source_base/module_container/base/macros/macros.h diff --git a/source/module_base/module_container/base/macros/rocm.h b/source/source_base/module_container/base/macros/rocm.h similarity index 100% rename from source/module_base/module_container/base/macros/rocm.h rename to source/source_base/module_container/base/macros/rocm.h diff --git a/source/module_base/module_container/base/third_party/blas.h b/source/source_base/module_container/base/third_party/blas.h similarity index 100% rename from source/module_base/module_container/base/third_party/blas.h rename to source/source_base/module_container/base/third_party/blas.h diff --git a/source/module_base/module_container/base/third_party/cublas.h b/source/source_base/module_container/base/third_party/cublas.h similarity index 100% rename from source/module_base/module_container/base/third_party/cublas.h rename to source/source_base/module_container/base/third_party/cublas.h diff --git a/source/module_base/module_container/base/third_party/cusolver.h b/source/source_base/module_container/base/third_party/cusolver.h similarity index 100% rename from source/module_base/module_container/base/third_party/cusolver.h rename to source/source_base/module_container/base/third_party/cusolver.h diff --git a/source/module_base/module_container/base/third_party/hipblas.h b/source/source_base/module_container/base/third_party/hipblas.h similarity index 100% rename from source/module_base/module_container/base/third_party/hipblas.h rename to source/source_base/module_container/base/third_party/hipblas.h diff --git a/source/module_base/module_container/base/third_party/hipsolver.h b/source/source_base/module_container/base/third_party/hipsolver.h similarity index 100% rename from source/module_base/module_container/base/third_party/hipsolver.h rename to source/source_base/module_container/base/third_party/hipsolver.h diff --git a/source/module_base/module_container/base/third_party/lapack.h b/source/source_base/module_container/base/third_party/lapack.h similarity index 100% rename from source/module_base/module_container/base/third_party/lapack.h rename to source/source_base/module_container/base/third_party/lapack.h diff --git a/source/module_base/module_container/base/utils/array_ref.h b/source/source_base/module_container/base/utils/array_ref.h similarity index 100% rename from source/module_base/module_container/base/utils/array_ref.h rename to source/source_base/module_container/base/utils/array_ref.h diff --git a/source/module_base/module_container/base/utils/gtest.h b/source/source_base/module_container/base/utils/gtest.h similarity index 100% rename from source/module_base/module_container/base/utils/gtest.h rename to source/source_base/module_container/base/utils/gtest.h diff --git a/source/module_base/module_container/base/utils/logging.h b/source/source_base/module_container/base/utils/logging.h similarity index 100% rename from source/module_base/module_container/base/utils/logging.h rename to source/source_base/module_container/base/utils/logging.h diff --git a/source/module_base/module_container/test/CMakeLists.txt b/source/source_base/module_container/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_container/test/CMakeLists.txt rename to source/source_base/module_container/test/CMakeLists.txt diff --git a/source/module_base/module_container/test/allocator_test.cpp b/source/source_base/module_container/test/allocator_test.cpp similarity index 100% rename from source/module_base/module_container/test/allocator_test.cpp rename to source/source_base/module_container/test/allocator_test.cpp diff --git a/source/module_base/module_container/test/tensor_accessor_test.cpp b/source/source_base/module_container/test/tensor_accessor_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_accessor_test.cpp rename to source/source_base/module_container/test/tensor_accessor_test.cpp diff --git a/source/module_base/module_container/test/tensor_buffer_test.cpp b/source/source_base/module_container/test/tensor_buffer_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_buffer_test.cpp rename to source/source_base/module_container/test/tensor_buffer_test.cpp diff --git a/source/module_base/module_container/test/tensor_map_test.cpp b/source/source_base/module_container/test/tensor_map_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_map_test.cpp rename to source/source_base/module_container/test/tensor_map_test.cpp diff --git a/source/module_base/module_container/test/tensor_shape_test.cpp b/source/source_base/module_container/test/tensor_shape_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_shape_test.cpp rename to source/source_base/module_container/test/tensor_shape_test.cpp diff --git a/source/module_base/module_container/test/tensor_test.cpp b/source/source_base/module_container/test/tensor_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_test.cpp rename to source/source_base/module_container/test/tensor_test.cpp diff --git a/source/module_base/module_container/test/tensor_utils_test.cpp b/source/source_base/module_container/test/tensor_utils_test.cpp similarity index 100% rename from source/module_base/module_container/test/tensor_utils_test.cpp rename to source/source_base/module_container/test/tensor_utils_test.cpp diff --git a/source/module_base/module_device/CMakeLists.txt b/source/source_base/module_device/CMakeLists.txt similarity index 100% rename from source/module_base/module_device/CMakeLists.txt rename to source/source_base/module_device/CMakeLists.txt diff --git a/source/module_base/module_device/cuda/memory_op.cu b/source/source_base/module_device/cuda/memory_op.cu similarity index 99% rename from source/module_base/module_device/cuda/memory_op.cu rename to source/source_base/module_device/cuda/memory_op.cu index c4f9efdb42b..43eae7975c6 100644 --- a/source/module_base/module_device/cuda/memory_op.cu +++ b/source/source_base/module_device/cuda/memory_op.cu @@ -1,5 +1,5 @@ -#include "module_base/module_device/memory_op.h" -#include "module_base/memory.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/memory.h" #include #include diff --git a/source/module_base/module_device/device.cpp b/source/source_base/module_device/device.cpp similarity index 99% rename from source/module_base/module_device/device.cpp rename to source/source_base/module_device/device.cpp index 9373a5a31a2..d8837e19958 100644 --- a/source/module_base/module_device/device.cpp +++ b/source/source_base/module_device/device.cpp @@ -1,7 +1,7 @@ #include "device.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/module_base/module_device/device.h b/source/source_base/module_device/device.h similarity index 100% rename from source/module_base/module_device/device.h rename to source/source_base/module_device/device.h diff --git a/source/module_base/module_device/memory_op.cpp b/source/source_base/module_device/memory_op.cpp similarity index 99% rename from source/module_base/module_device/memory_op.cpp rename to source/source_base/module_device/memory_op.cpp index 9af0ce5a792..189014c9814 100644 --- a/source/module_base/module_device/memory_op.cpp +++ b/source/source_base/module_device/memory_op.cpp @@ -1,10 +1,10 @@ #include "memory_op.h" -#include "module_base/memory.h" -#include "module_base/tool_threading.h" +#include "source_base/memory.h" +#include "source_base/tool_threading.h" #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" -#include "module_base/global_variable.h" +#include "source_base/kernels/dsp/dsp_connector.h" +#include "source_base/global_variable.h" #endif #include diff --git a/source/module_base/module_device/memory_op.h b/source/source_base/module_device/memory_op.h similarity index 100% rename from source/module_base/module_device/memory_op.h rename to source/source_base/module_device/memory_op.h diff --git a/source/module_base/module_device/rocm/memory_op.hip.cu b/source/source_base/module_device/rocm/memory_op.hip.cu similarity index 99% rename from source/module_base/module_device/rocm/memory_op.hip.cu rename to source/source_base/module_device/rocm/memory_op.hip.cu index 287a5990c0b..56eb6f06b70 100644 --- a/source/module_base/module_device/rocm/memory_op.hip.cu +++ b/source/source_base/module_device/rocm/memory_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/module_device/test/CMakeLists.txt b/source/source_base/module_device/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_device/test/CMakeLists.txt rename to source/source_base/module_device/test/CMakeLists.txt diff --git a/source/module_base/module_device/test/device_test.cpp b/source/source_base/module_device/test/device_test.cpp similarity index 94% rename from source/module_base/module_device/test/device_test.cpp rename to source/source_base/module_device/test/device_test.cpp index e14392999ee..02d485c8ef9 100644 --- a/source/module_base/module_device/test/device_test.cpp +++ b/source/source_base/module_device/test/device_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include #include diff --git a/source/module_base/module_device/test/memory_test.cpp b/source/source_base/module_device/test/memory_test.cpp similarity index 99% rename from source/module_base/module_device/test/memory_test.cpp rename to source/source_base/module_device/test/memory_test.cpp index 39c5c25d522..a963c68c532 100644 --- a/source/module_base/module_device/test/memory_test.cpp +++ b/source/source_base/module_device/test/memory_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" #include #include diff --git a/source/module_base/module_device/types.h b/source/source_base/module_device/types.h similarity index 100% rename from source/module_base/module_device/types.h rename to source/source_base/module_device/types.h diff --git a/source/module_base/module_mixing/broyden_mixing.cpp b/source/source_base/module_mixing/broyden_mixing.cpp similarity index 96% rename from source/module_base/module_mixing/broyden_mixing.cpp rename to source/source_base/module_mixing/broyden_mixing.cpp index 0d769ede0e0..71f82e3cbdf 100644 --- a/source/module_base/module_mixing/broyden_mixing.cpp +++ b/source/source_base/module_mixing/broyden_mixing.cpp @@ -1,10 +1,10 @@ #include "broyden_mixing.h" -#include "module_base/lapack_connector.h" -#include "module_base/memory.h" -#include "module_base/module_container/base/third_party/blas.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/lapack_connector.h" +#include "source_base/memory.h" +#include "source_base/module_container/base/third_party/blas.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Broyden_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/broyden_mixing.h b/source/source_base/module_mixing/broyden_mixing.h similarity index 99% rename from source/module_base/module_mixing/broyden_mixing.h rename to source/source_base/module_mixing/broyden_mixing.h index d3fbbd82f39..8032f096578 100644 --- a/source/module_base/module_mixing/broyden_mixing.h +++ b/source/source_base/module_mixing/broyden_mixing.h @@ -1,7 +1,7 @@ #ifndef BROYDEN_MIXING_H_ #define BROYDEN_MIXING_H_ #include "mixing.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/mixing.cpp b/source/source_base/module_mixing/mixing.cpp similarity index 98% rename from source/module_base/module_mixing/mixing.cpp rename to source/source_base/module_mixing/mixing.cpp index bd522bc60be..a252587ac67 100644 --- a/source/module_base/module_mixing/mixing.cpp +++ b/source/source_base/module_mixing/mixing.cpp @@ -1,6 +1,6 @@ #include "mixing.h" -#include "module_base/module_container/base/third_party/blas.h" +#include "source_base/module_container/base/third_party/blas.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/mixing.h b/source/source_base/module_mixing/mixing.h similarity index 100% rename from source/module_base/module_mixing/mixing.h rename to source/source_base/module_mixing/mixing.h diff --git a/source/module_base/module_mixing/mixing_data.cpp b/source/source_base/module_mixing/mixing_data.cpp similarity index 100% rename from source/module_base/module_mixing/mixing_data.cpp rename to source/source_base/module_mixing/mixing_data.cpp diff --git a/source/module_base/module_mixing/mixing_data.h b/source/source_base/module_mixing/mixing_data.h similarity index 97% rename from source/module_base/module_mixing/mixing_data.h rename to source/source_base/module_mixing/mixing_data.h index e5986f7faa7..f71380531f4 100644 --- a/source/module_base/module_mixing/mixing_data.h +++ b/source/source_base/module_mixing/mixing_data.h @@ -2,7 +2,7 @@ #define MIXING_DATA_H_ #include -#include "module_base/module_container/ATen/tensor.h" +#include "source_base/module_container/ATen/tensor.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/plain_mixing.cpp b/source/source_base/module_mixing/plain_mixing.cpp similarity index 97% rename from source/module_base/module_mixing/plain_mixing.cpp rename to source/source_base/module_mixing/plain_mixing.cpp index 025cc67b1ed..81bdd659ef9 100644 --- a/source/module_base/module_mixing/plain_mixing.cpp +++ b/source/source_base/module_mixing/plain_mixing.cpp @@ -1,8 +1,8 @@ #include "plain_mixing.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Plain_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/plain_mixing.h b/source/source_base/module_mixing/plain_mixing.h similarity index 100% rename from source/module_base/module_mixing/plain_mixing.h rename to source/source_base/module_mixing/plain_mixing.h diff --git a/source/module_base/module_mixing/pulay_mixing.cpp b/source/source_base/module_mixing/pulay_mixing.cpp similarity index 97% rename from source/module_base/module_mixing/pulay_mixing.cpp rename to source/source_base/module_mixing/pulay_mixing.cpp index 9c9c10a7bd2..5caa6b7299c 100644 --- a/source/module_base/module_mixing/pulay_mixing.cpp +++ b/source/source_base/module_mixing/pulay_mixing.cpp @@ -1,9 +1,9 @@ #include "pulay_mixing.h" -#include "module_base/lapack_connector.h" -#include "module_base/memory.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/lapack_connector.h" +#include "source_base/memory.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" namespace Base_Mixing { template void Pulay_Mixing::tem_push_data(Mixing_Data& mdata, diff --git a/source/module_base/module_mixing/pulay_mixing.h b/source/source_base/module_mixing/pulay_mixing.h similarity index 99% rename from source/module_base/module_mixing/pulay_mixing.h rename to source/source_base/module_mixing/pulay_mixing.h index 0e6c6de595b..c336959dc93 100644 --- a/source/module_base/module_mixing/pulay_mixing.h +++ b/source/source_base/module_mixing/pulay_mixing.h @@ -1,7 +1,7 @@ #ifndef PULAY_MIXING_H_ #define PULAY_MIXING_H_ #include "mixing.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" namespace Base_Mixing { diff --git a/source/module_base/module_mixing/test/CMakeLists.txt b/source/source_base/module_mixing/test/CMakeLists.txt similarity index 100% rename from source/module_base/module_mixing/test/CMakeLists.txt rename to source/source_base/module_mixing/test/CMakeLists.txt diff --git a/source/module_base/module_mixing/test/mixing_test.cpp b/source/source_base/module_mixing/test/mixing_test.cpp similarity index 100% rename from source/module_base/module_mixing/test/mixing_test.cpp rename to source/source_base/module_mixing/test/mixing_test.cpp diff --git a/source/module_base/mymath.cpp b/source/source_base/mymath.cpp similarity index 100% rename from source/module_base/mymath.cpp rename to source/source_base/mymath.cpp diff --git a/source/module_base/mymath.h b/source/source_base/mymath.h similarity index 100% rename from source/module_base/mymath.h rename to source/source_base/mymath.h diff --git a/source/module_base/name_angular.h b/source/source_base/name_angular.h similarity index 100% rename from source/module_base/name_angular.h rename to source/source_base/name_angular.h diff --git a/source/module_base/ndarray.h b/source/source_base/ndarray.h similarity index 98% rename from source/module_base/ndarray.h rename to source/source_base/ndarray.h index 585af603b88..5f76fb9e282 100644 --- a/source/module_base/ndarray.h +++ b/source/source_base/ndarray.h @@ -1,7 +1,7 @@ /** * @file NDArray.h * @author your name (you@domain.com) - * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In module_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to ontainer::Tensor. + * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In source_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to ontainer::Tensor. * @version 0.1 * @date 2024-04-24 * @@ -22,7 +22,7 @@ //#include "./module_container/ATen/tensor.h" /** - * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In module_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to container::Tensor. + * @brief under the restriction of C++11, a simple alternative to std::vector + std::mdspan. In source_base/module_container/ATen/tensor.h, tensor class provides a cross-device container, but std::string is not supported. Therefore, this class is to provide a general (but CPU-only) container for multi-dimensional data. It can easily convert to container::Tensor. * * @tparam T */ diff --git a/source/module_base/opt_CG.cpp b/source/source_base/opt_CG.cpp similarity index 100% rename from source/module_base/opt_CG.cpp rename to source/source_base/opt_CG.cpp diff --git a/source/module_base/opt_CG.h b/source/source_base/opt_CG.h similarity index 98% rename from source/module_base/opt_CG.h rename to source/source_base/opt_CG.h index 32707d6ca7d..5e14975fcb3 100644 --- a/source/module_base/opt_CG.h +++ b/source/source_base/opt_CG.h @@ -6,7 +6,7 @@ #include #include "global_function.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" namespace ModuleBase { diff --git a/source/module_base/opt_DCsrch.cpp b/source/source_base/opt_DCsrch.cpp similarity index 100% rename from source/module_base/opt_DCsrch.cpp rename to source/source_base/opt_DCsrch.cpp diff --git a/source/module_base/opt_DCsrch.h b/source/source_base/opt_DCsrch.h similarity index 100% rename from source/module_base/opt_DCsrch.h rename to source/source_base/opt_DCsrch.h diff --git a/source/module_base/opt_TN.hpp b/source/source_base/opt_TN.hpp similarity index 100% rename from source/module_base/opt_TN.hpp rename to source/source_base/opt_TN.hpp diff --git a/source/module_base/para_gemm.cpp b/source/source_base/para_gemm.cpp similarity index 99% rename from source/module_base/para_gemm.cpp rename to source/source_base/para_gemm.cpp index abfacf5154a..1a6bbe83562 100644 --- a/source/module_base/para_gemm.cpp +++ b/source/source_base/para_gemm.cpp @@ -2,7 +2,7 @@ #include "kernels/math_kernel_op.h" #include "parallel_device.h" -#include "module_base/timer.h" +#include "source_base/timer.h" namespace ModuleBase { template diff --git a/source/module_base/para_gemm.h b/source/source_base/para_gemm.h similarity index 98% rename from source/module_base/para_gemm.h rename to source/source_base/para_gemm.h index a0e01d27348..6cf391d56d3 100644 --- a/source/module_base/para_gemm.h +++ b/source/source_base/para_gemm.h @@ -1,7 +1,7 @@ #ifndef PARA_GEMM_H #define PARA_GEMM_H -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include #ifdef __MPI diff --git a/source/module_base/parallel_2d.cpp b/source/source_base/parallel_2d.cpp similarity index 98% rename from source/module_base/parallel_2d.cpp rename to source/source_base/parallel_2d.cpp index 3791a1218ba..ef01a0566dc 100644 --- a/source/module_base/parallel_2d.cpp +++ b/source/source_base/parallel_2d.cpp @@ -1,6 +1,6 @@ #include "parallel_2d.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/module_base/parallel_2d.h b/source/source_base/parallel_2d.h similarity index 98% rename from source/module_base/parallel_2d.h rename to source/source_base/parallel_2d.h index 2f8bc8b1327..4115c4df3e3 100644 --- a/source/module_base/parallel_2d.h +++ b/source/source_base/parallel_2d.h @@ -4,7 +4,7 @@ #include #include -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" /// @brief This class packs the basic information of /// 2D-block-cyclic parallel distribution of an arbitrary matrix. diff --git a/source/module_base/parallel_comm.cpp b/source/source_base/parallel_comm.cpp similarity index 100% rename from source/module_base/parallel_comm.cpp rename to source/source_base/parallel_comm.cpp diff --git a/source/module_base/parallel_comm.h b/source/source_base/parallel_comm.h similarity index 100% rename from source/module_base/parallel_comm.h rename to source/source_base/parallel_comm.h diff --git a/source/module_base/parallel_common.cpp b/source/source_base/parallel_common.cpp similarity index 100% rename from source/module_base/parallel_common.cpp rename to source/source_base/parallel_common.cpp diff --git a/source/module_base/parallel_common.h b/source/source_base/parallel_common.h similarity index 100% rename from source/module_base/parallel_common.h rename to source/source_base/parallel_common.h diff --git a/source/module_base/parallel_device.cpp b/source/source_base/parallel_device.cpp similarity index 100% rename from source/module_base/parallel_device.cpp rename to source/source_base/parallel_device.cpp diff --git a/source/module_base/parallel_device.h b/source/source_base/parallel_device.h similarity index 98% rename from source/module_base/parallel_device.h rename to source/source_base/parallel_device.h index 3ecc2f6aae3..7293b375d74 100644 --- a/source/module_base/parallel_device.h +++ b/source/source_base/parallel_device.h @@ -2,8 +2,8 @@ #define __PARALLEL_DEVICE_H__ #ifdef __MPI #include "mpi.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" #include namespace Parallel_Common { diff --git a/source/module_base/parallel_global.cpp b/source/source_base/parallel_global.cpp similarity index 98% rename from source/module_base/parallel_global.cpp rename to source/source_base/parallel_global.cpp index ab76b0c8721..7889b0f4464 100644 --- a/source/module_base/parallel_global.cpp +++ b/source/source_base/parallel_global.cpp @@ -11,11 +11,11 @@ #include #endif -#include "module_base/global_function.h" -#include "module_base/parallel_common.h" -#include "module_base/parallel_reduce.h" +#include "source_base/global_function.h" +#include "source_base/parallel_common.h" +#include "source_base/parallel_reduce.h" #include "module_parameter/parameter.h" -// #include "module_base/tool_quit.h" +// #include "source_base/tool_quit.h" #include "source_main/version.h" #include @@ -157,7 +157,7 @@ void Parallel_Global::read_pal_param(int argc, // the user may take their own risk by set the OMP_NUM_THREADS env var. if (std::getenv("OMP_NUM_THREADS") == nullptr) { - // usage of WARNING_QUIT need module_base/tool_quit.cpp + // usage of WARNING_QUIT need source_base/tool_quit.cpp // lead to undefined error in unit_test building // ModuleBase::WARNING_QUIT( "Parallel_Global::read_pal_param","OMP_NUM_THREADS setting is invalid. Please set it to a proper value."); std::cerr << "ERROR: OMP_NUM_THREADS setting is invalid. Please set it to a proper value." << std::endl; diff --git a/source/module_base/parallel_global.h b/source/source_base/parallel_global.h similarity index 100% rename from source/module_base/parallel_global.h rename to source/source_base/parallel_global.h diff --git a/source/module_base/parallel_reduce.cpp b/source/source_base/parallel_reduce.cpp similarity index 100% rename from source/module_base/parallel_reduce.cpp rename to source/source_base/parallel_reduce.cpp diff --git a/source/module_base/parallel_reduce.h b/source/source_base/parallel_reduce.h similarity index 100% rename from source/module_base/parallel_reduce.h rename to source/source_base/parallel_reduce.h diff --git a/source/module_base/projgen.cpp b/source/source_base/projgen.cpp similarity index 98% rename from source/module_base/projgen.cpp rename to source/source_base/projgen.cpp index dc8d8800192..681bc2a6f06 100644 --- a/source/module_base/projgen.cpp +++ b/source/source_base/projgen.cpp @@ -6,9 +6,9 @@ #include #include -#include "module_base/cubic_spline.h" -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" +#include "source_base/cubic_spline.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" using namespace ModuleBase; diff --git a/source/module_base/projgen.h b/source/source_base/projgen.h similarity index 100% rename from source/module_base/projgen.h rename to source/source_base/projgen.h diff --git a/source/module_base/random.h b/source/source_base/random.h similarity index 100% rename from source/module_base/random.h rename to source/source_base/random.h diff --git a/source/module_base/realarray.cpp b/source/source_base/realarray.cpp similarity index 100% rename from source/module_base/realarray.cpp rename to source/source_base/realarray.cpp diff --git a/source/module_base/realarray.h b/source/source_base/realarray.h similarity index 100% rename from source/module_base/realarray.h rename to source/source_base/realarray.h diff --git a/source/module_base/scalapack_connector.h b/source/source_base/scalapack_connector.h similarity index 100% rename from source/module_base/scalapack_connector.h rename to source/source_base/scalapack_connector.h diff --git a/source/module_base/sph_bessel_recursive-d1.cpp b/source/source_base/sph_bessel_recursive-d1.cpp similarity index 100% rename from source/module_base/sph_bessel_recursive-d1.cpp rename to source/source_base/sph_bessel_recursive-d1.cpp diff --git a/source/module_base/sph_bessel_recursive-d2.cpp b/source/source_base/sph_bessel_recursive-d2.cpp similarity index 100% rename from source/module_base/sph_bessel_recursive-d2.cpp rename to source/source_base/sph_bessel_recursive-d2.cpp diff --git a/source/module_base/sph_bessel_recursive.h b/source/source_base/sph_bessel_recursive.h similarity index 100% rename from source/module_base/sph_bessel_recursive.h rename to source/source_base/sph_bessel_recursive.h diff --git a/source/module_base/spherical_bessel_transformer.cpp b/source/source_base/spherical_bessel_transformer.cpp similarity index 99% rename from source/module_base/spherical_bessel_transformer.cpp rename to source/source_base/spherical_bessel_transformer.cpp index 3fa6cb2a320..ce4ee7e8477 100644 --- a/source/module_base/spherical_bessel_transformer.cpp +++ b/source/source_base/spherical_bessel_transformer.cpp @@ -1,4 +1,4 @@ -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include #include @@ -7,8 +7,8 @@ #include #include -#include "module_base/math_integral.h" -#include "module_base/math_sphbes.h" +#include "source_base/math_integral.h" +#include "source_base/math_sphbes.h" namespace ModuleBase { diff --git a/source/module_base/spherical_bessel_transformer.h b/source/source_base/spherical_bessel_transformer.h similarity index 100% rename from source/module_base/spherical_bessel_transformer.h rename to source/source_base/spherical_bessel_transformer.h diff --git a/source/module_base/test/CMakeLists.txt b/source/source_base/test/CMakeLists.txt similarity index 100% rename from source/module_base/test/CMakeLists.txt rename to source/source_base/test/CMakeLists.txt diff --git a/source/module_base/test/abfs-vector3_order_test.cpp b/source/source_base/test/abfs-vector3_order_test.cpp similarity index 89% rename from source/module_base/test/abfs-vector3_order_test.cpp rename to source/source_base/test/abfs-vector3_order_test.cpp index 713fb38609a..1a8f1b9569a 100644 --- a/source/module_base/test/abfs-vector3_order_test.cpp +++ b/source/source_base/test/abfs-vector3_order_test.cpp @@ -1,5 +1,5 @@ -#include "module_base/abfs-vector3_order.h" -#include "module_base/vector3.h" +#include "source_base/abfs-vector3_order.h" +#include "source_base/vector3.h" #include "gtest/gtest.h" #include "module_ri/abfs.h" diff --git a/source/module_base/test/assoc_laguerre_test.cpp b/source/source_base/test/assoc_laguerre_test.cpp similarity index 99% rename from source/module_base/test/assoc_laguerre_test.cpp rename to source/source_base/test/assoc_laguerre_test.cpp index 142a0a87fcc..c992f06f0c5 100644 --- a/source/module_base/test/assoc_laguerre_test.cpp +++ b/source/source_base/test/assoc_laguerre_test.cpp @@ -1,6 +1,6 @@ #include #include -#include "module_base/assoc_laguerre.h" +#include "source_base/assoc_laguerre.h" #include // use standard library version for reference value /* Unittest for associated Laguerre polynomials diff --git a/source/module_base/test/atom_in_test.cpp b/source/source_base/test/atom_in_test.cpp similarity index 100% rename from source/module_base/test/atom_in_test.cpp rename to source/source_base/test/atom_in_test.cpp diff --git a/source/module_base/test/blas_connector_test.cpp b/source/source_base/test/blas_connector_test.cpp similarity index 100% rename from source/module_base/test/blas_connector_test.cpp rename to source/source_base/test/blas_connector_test.cpp diff --git a/source/module_base/test/clebsch_gordan_coeff_test.cpp b/source/source_base/test/clebsch_gordan_coeff_test.cpp similarity index 100% rename from source/module_base/test/clebsch_gordan_coeff_test.cpp rename to source/source_base/test/clebsch_gordan_coeff_test.cpp diff --git a/source/module_base/test/complexarray_test.cpp b/source/source_base/test/complexarray_test.cpp similarity index 100% rename from source/module_base/test/complexarray_test.cpp rename to source/source_base/test/complexarray_test.cpp diff --git a/source/module_base/test/complexmatrix_test.cpp b/source/source_base/test/complexmatrix_test.cpp similarity index 100% rename from source/module_base/test/complexmatrix_test.cpp rename to source/source_base/test/complexmatrix_test.cpp diff --git a/source/module_base/test/container_operator_test.cpp b/source/source_base/test/container_operator_test.cpp similarity index 100% rename from source/module_base/test/container_operator_test.cpp rename to source/source_base/test/container_operator_test.cpp diff --git a/source/module_base/test/cubic_spline_test.cpp b/source/source_base/test/cubic_spline_test.cpp similarity index 99% rename from source/module_base/test/cubic_spline_test.cpp rename to source/source_base/test/cubic_spline_test.cpp index b28f53ce14e..ffe5461dc06 100644 --- a/source/module_base/test/cubic_spline_test.cpp +++ b/source/source_base/test/cubic_spline_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/cubic_spline.h" +#include "source_base/cubic_spline.h" #include #include diff --git a/source/module_base/test/data/bjo.bin b/source/source_base/test/data/bjo.bin similarity index 100% rename from source/module_base/test/data/bjo.bin rename to source/source_base/test/data/bjo.bin diff --git a/source/module_base/test/data/bjxo.bin b/source/source_base/test/data/bjxo.bin similarity index 100% rename from source/module_base/test/data/bjxo.bin rename to source/source_base/test/data/bjxo.bin diff --git a/source/module_base/test/data/cos_periodic.dat b/source/source_base/test/data/cos_periodic.dat similarity index 100% rename from source/module_base/test/data/cos_periodic.dat rename to source/source_base/test/data/cos_periodic.dat diff --git a/source/module_base/test/data/exp_first_deriv.dat b/source/source_base/test/data/exp_first_deriv.dat similarity index 100% rename from source/module_base/test/data/exp_first_deriv.dat rename to source/source_base/test/data/exp_first_deriv.dat diff --git a/source/module_base/test/data/gen_ref.py b/source/source_base/test/data/gen_ref.py similarity index 100% rename from source/module_base/test/data/gen_ref.py rename to source/source_base/test/data/gen_ref.py diff --git a/source/module_base/test/data/log_second_deriv.dat b/source/source_base/test/data/log_second_deriv.dat similarity index 100% rename from source/module_base/test/data/log_second_deriv.dat rename to source/source_base/test/data/log_second_deriv.dat diff --git a/source/module_base/test/data/sin_not_a_knot.dat b/source/source_base/test/data/sin_not_a_knot.dat similarity index 100% rename from source/module_base/test/data/sin_not_a_knot.dat rename to source/source_base/test/data/sin_not_a_knot.dat diff --git a/source/module_base/test/data/sqrt_mix_bc.dat b/source/source_base/test/data/sqrt_mix_bc.dat similarity index 100% rename from source/module_base/test/data/sqrt_mix_bc.dat rename to source/source_base/test/data/sqrt_mix_bc.dat diff --git a/source/module_base/test/data/three_points_not_a_knot.dat b/source/source_base/test/data/three_points_not_a_knot.dat similarity index 100% rename from source/module_base/test/data/three_points_not_a_knot.dat rename to source/source_base/test/data/three_points_not_a_knot.dat diff --git a/source/module_base/test/data/two_points_first_deriv.dat b/source/source_base/test/data/two_points_first_deriv.dat similarity index 100% rename from source/module_base/test/data/two_points_first_deriv.dat rename to source/source_base/test/data/two_points_first_deriv.dat diff --git a/source/module_base/test/data/two_points_periodic.dat b/source/source_base/test/data/two_points_periodic.dat similarity index 100% rename from source/module_base/test/data/two_points_periodic.dat rename to source/source_base/test/data/two_points_periodic.dat diff --git a/source/module_base/test/data/two_points_second_deriv.dat b/source/source_base/test/data/two_points_second_deriv.dat similarity index 100% rename from source/module_base/test/data/two_points_second_deriv.dat rename to source/source_base/test/data/two_points_second_deriv.dat diff --git a/source/module_base/test/element_basis_index_test.cpp b/source/source_base/test/element_basis_index_test.cpp similarity index 100% rename from source/module_base/test/element_basis_index_test.cpp rename to source/source_base/test/element_basis_index_test.cpp diff --git a/source/module_base/test/formatter_test.cpp b/source/source_base/test/formatter_test.cpp similarity index 99% rename from source/module_base/test/formatter_test.cpp rename to source/source_base/test/formatter_test.cpp index 20696e13571..8d1ad9e8cba 100644 --- a/source/module_base/test/formatter_test.cpp +++ b/source/source_base/test/formatter_test.cpp @@ -1,4 +1,4 @@ -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include #include #include diff --git a/source/module_base/test/global_file_test.cpp b/source/source_base/test/global_file_test.cpp similarity index 98% rename from source/module_base/test/global_file_test.cpp rename to source/source_base/test/global_file_test.cpp index 365782cd80b..6917fb4b8f6 100644 --- a/source/module_base/test/global_file_test.cpp +++ b/source/source_base/test/global_file_test.cpp @@ -108,7 +108,7 @@ TEST_F(GlobalFile,closealllog) { /* For module_io/input.cpp:line3578 close_log() is a void function, - All its contents is calling close_all_log() in module_base/global_file.cpp + All its contents is calling close_all_log() in source_base/global_file.cpp For Input::close_log() what is left to test are the validities of parameters GlobalV::MY_RANK and this->out_alllog. */ diff --git a/source/module_base/test/global_function_test.cpp b/source/source_base/test/global_function_test.cpp similarity index 100% rename from source/module_base/test/global_function_test.cpp rename to source/source_base/test/global_function_test.cpp diff --git a/source/module_base/test/gram_schmidt_orth_test.cpp b/source/source_base/test/gram_schmidt_orth_test.cpp similarity index 100% rename from source/module_base/test/gram_schmidt_orth_test.cpp rename to source/source_base/test/gram_schmidt_orth_test.cpp diff --git a/source/module_base/test/intarray_test.cpp b/source/source_base/test/intarray_test.cpp similarity index 100% rename from source/module_base/test/intarray_test.cpp rename to source/source_base/test/intarray_test.cpp diff --git a/source/module_base/test/inverse_matrix_test.cpp b/source/source_base/test/inverse_matrix_test.cpp similarity index 100% rename from source/module_base/test/inverse_matrix_test.cpp rename to source/source_base/test/inverse_matrix_test.cpp diff --git a/source/module_base/test/lapack_connector_test.cpp b/source/source_base/test/lapack_connector_test.cpp similarity index 100% rename from source/module_base/test/lapack_connector_test.cpp rename to source/source_base/test/lapack_connector_test.cpp diff --git a/source/module_base/test/math_bspline_test.cpp b/source/source_base/test/math_bspline_test.cpp similarity index 100% rename from source/module_base/test/math_bspline_test.cpp rename to source/source_base/test/math_bspline_test.cpp diff --git a/source/module_base/test/math_chebyshev_test.cpp b/source/source_base/test/math_chebyshev_test.cpp similarity index 100% rename from source/module_base/test/math_chebyshev_test.cpp rename to source/source_base/test/math_chebyshev_test.cpp diff --git a/source/module_base/test/math_integral_test.cpp b/source/source_base/test/math_integral_test.cpp similarity index 99% rename from source/module_base/test/math_integral_test.cpp rename to source/source_base/test/math_integral_test.cpp index eded83f76dc..d9034b297b8 100644 --- a/source/module_base/test/math_integral_test.cpp +++ b/source/source_base/test/math_integral_test.cpp @@ -5,7 +5,7 @@ #include #include -#include "module_base/constants.h" +#include "source_base/constants.h" #define doublethreshold 1e-12 diff --git a/source/module_base/test/math_polyint_test.cpp b/source/source_base/test/math_polyint_test.cpp similarity index 100% rename from source/module_base/test/math_polyint_test.cpp rename to source/source_base/test/math_polyint_test.cpp diff --git a/source/module_base/test/math_sphbes_test.cpp b/source/source_base/test/math_sphbes_test.cpp similarity index 100% rename from source/module_base/test/math_sphbes_test.cpp rename to source/source_base/test/math_sphbes_test.cpp diff --git a/source/module_base/test/math_ylmreal_test.cpp b/source/source_base/test/math_ylmreal_test.cpp similarity index 99% rename from source/module_base/test/math_ylmreal_test.cpp rename to source/source_base/test/math_ylmreal_test.cpp index 891c948f7ee..0ecd1badd00 100644 --- a/source/module_base/test/math_ylmreal_test.cpp +++ b/source/source_base/test/math_ylmreal_test.cpp @@ -5,7 +5,7 @@ #include"gtest/gtest.h" #include #include "module_psi/psi.h" -#include "module_base/array_pool.h" +#include "source_base/array_pool.h" #define doublethreshold 1e-12 diff --git a/source/module_base/test/mathzone_add1_test.cpp b/source/source_base/test/mathzone_add1_test.cpp similarity index 100% rename from source/module_base/test/mathzone_add1_test.cpp rename to source/source_base/test/mathzone_add1_test.cpp diff --git a/source/module_base/test/mathzone_test.cpp b/source/source_base/test/mathzone_test.cpp similarity index 100% rename from source/module_base/test/mathzone_test.cpp rename to source/source_base/test/mathzone_test.cpp diff --git a/source/module_base/test/matrix3_test.cpp b/source/source_base/test/matrix3_test.cpp similarity index 100% rename from source/module_base/test/matrix3_test.cpp rename to source/source_base/test/matrix3_test.cpp diff --git a/source/module_base/test/matrix_test.cpp b/source/source_base/test/matrix_test.cpp similarity index 100% rename from source/module_base/test/matrix_test.cpp rename to source/source_base/test/matrix_test.cpp diff --git a/source/module_base/test/memory_test.cpp b/source/source_base/test/memory_test.cpp similarity index 100% rename from source/module_base/test/memory_test.cpp rename to source/source_base/test/memory_test.cpp diff --git a/source/module_base/test/mymath_test.cpp b/source/source_base/test/mymath_test.cpp similarity index 100% rename from source/module_base/test/mymath_test.cpp rename to source/source_base/test/mymath_test.cpp diff --git a/source/module_base/test/ndarray_test.cpp b/source/source_base/test/ndarray_test.cpp similarity index 99% rename from source/module_base/test/ndarray_test.cpp rename to source/source_base/test/ndarray_test.cpp index b31d04144d1..835f9c79718 100644 --- a/source/module_base/test/ndarray_test.cpp +++ b/source/source_base/test/ndarray_test.cpp @@ -1,5 +1,5 @@ #include -#include "module_base/ndarray.h" +#include "source_base/ndarray.h" #include // TEST(NDArray, Constructor) diff --git a/source/module_base/test/opt_CG_test.cpp b/source/source_base/test/opt_CG_test.cpp similarity index 100% rename from source/module_base/test/opt_CG_test.cpp rename to source/source_base/test/opt_CG_test.cpp diff --git a/source/module_base/test/opt_TN_test.cpp b/source/source_base/test/opt_TN_test.cpp similarity index 100% rename from source/module_base/test/opt_TN_test.cpp rename to source/source_base/test/opt_TN_test.cpp diff --git a/source/module_base/test/opt_test_tools.cpp b/source/source_base/test/opt_test_tools.cpp similarity index 100% rename from source/module_base/test/opt_test_tools.cpp rename to source/source_base/test/opt_test_tools.cpp diff --git a/source/module_base/test/opt_test_tools.h b/source/source_base/test/opt_test_tools.h similarity index 100% rename from source/module_base/test/opt_test_tools.h rename to source/source_base/test/opt_test_tools.h diff --git a/source/module_base/test/perf_sphbes_test.cpp b/source/source_base/test/perf_sphbes_test.cpp similarity index 100% rename from source/module_base/test/perf_sphbes_test.cpp rename to source/source_base/test/perf_sphbes_test.cpp diff --git a/source/module_base/test/realarray_test.cpp b/source/source_base/test/realarray_test.cpp similarity index 100% rename from source/module_base/test/realarray_test.cpp rename to source/source_base/test/realarray_test.cpp diff --git a/source/module_base/test/sph_bessel_recursive_test.cpp b/source/source_base/test/sph_bessel_recursive_test.cpp similarity index 100% rename from source/module_base/test/sph_bessel_recursive_test.cpp rename to source/source_base/test/sph_bessel_recursive_test.cpp diff --git a/source/module_base/test/spherical_bessel_transformer_test.cpp b/source/source_base/test/spherical_bessel_transformer_test.cpp similarity index 99% rename from source/module_base/test/spherical_bessel_transformer_test.cpp rename to source/source_base/test/spherical_bessel_transformer_test.cpp index b282736160e..ea4b2d8e4fd 100644 --- a/source/module_base/test/spherical_bessel_transformer_test.cpp +++ b/source/source_base/test/spherical_bessel_transformer_test.cpp @@ -1,10 +1,10 @@ -#include "module_base/spherical_bessel_transformer.h" +#include "source_base/spherical_bessel_transformer.h" #include #include #include "gtest/gtest.h" -#include "module_base/constants.h" +#include "source_base/constants.h" #ifdef __MPI #include diff --git a/source/module_base/test/test_lebedev_laikov.cpp b/source/source_base/test/test_lebedev_laikov.cpp similarity index 97% rename from source/module_base/test/test_lebedev_laikov.cpp rename to source/source_base/test/test_lebedev_laikov.cpp index f0758c6ae4a..c9e138cb216 100644 --- a/source/module_base/test/test_lebedev_laikov.cpp +++ b/source/source_base/test/test_lebedev_laikov.cpp @@ -1,5 +1,5 @@ -#include "module_base/math_lebedev_laikov.h" -#include "module_base/ylm.h" +#include "source_base/math_lebedev_laikov.h" +#include "source_base/ylm.h" #include "gtest/gtest.h" #include diff --git a/source/module_base/test/timer_test.cpp b/source/source_base/test/timer_test.cpp similarity index 100% rename from source/module_base/test/timer_test.cpp rename to source/source_base/test/timer_test.cpp diff --git a/source/module_base/test/tool_check_test.cpp b/source/source_base/test/tool_check_test.cpp similarity index 100% rename from source/module_base/test/tool_check_test.cpp rename to source/source_base/test/tool_check_test.cpp diff --git a/source/module_base/test/tool_quit_no_exit.cpp b/source/source_base/test/tool_quit_no_exit.cpp similarity index 100% rename from source/module_base/test/tool_quit_no_exit.cpp rename to source/source_base/test/tool_quit_no_exit.cpp diff --git a/source/module_base/test/tool_quit_test.cpp b/source/source_base/test/tool_quit_test.cpp similarity index 100% rename from source/module_base/test/tool_quit_test.cpp rename to source/source_base/test/tool_quit_test.cpp diff --git a/source/module_base/test/tool_threading_test.cpp b/source/source_base/test/tool_threading_test.cpp similarity index 100% rename from source/module_base/test/tool_threading_test.cpp rename to source/source_base/test/tool_threading_test.cpp diff --git a/source/module_base/test/tool_title_test.cpp b/source/source_base/test/tool_title_test.cpp similarity index 100% rename from source/module_base/test/tool_title_test.cpp rename to source/source_base/test/tool_title_test.cpp diff --git a/source/module_base/test/vector3_test.cpp b/source/source_base/test/vector3_test.cpp similarity index 100% rename from source/module_base/test/vector3_test.cpp rename to source/source_base/test/vector3_test.cpp diff --git a/source/module_base/test/ylm_test.cpp b/source/source_base/test/ylm_test.cpp similarity index 100% rename from source/module_base/test/ylm_test.cpp rename to source/source_base/test/ylm_test.cpp diff --git a/source/module_base/test_parallel/CMakeLists.txt b/source/source_base/test_parallel/CMakeLists.txt similarity index 100% rename from source/module_base/test_parallel/CMakeLists.txt rename to source/source_base/test_parallel/CMakeLists.txt diff --git a/source/module_base/test_parallel/blacs_connector_test.cpp b/source/source_base/test_parallel/blacs_connector_test.cpp similarity index 100% rename from source/module_base/test_parallel/blacs_connector_test.cpp rename to source/source_base/test_parallel/blacs_connector_test.cpp diff --git a/source/module_base/test_parallel/blacs_connector_test.sh b/source/source_base/test_parallel/blacs_connector_test.sh similarity index 100% rename from source/module_base/test_parallel/blacs_connector_test.sh rename to source/source_base/test_parallel/blacs_connector_test.sh diff --git a/source/module_base/test_parallel/math_chebyshev_mpi_test.cpp b/source/source_base/test_parallel/math_chebyshev_mpi_test.cpp similarity index 99% rename from source/module_base/test_parallel/math_chebyshev_mpi_test.cpp rename to source/source_base/test_parallel/math_chebyshev_mpi_test.cpp index 5ca222bb3ce..09bcfb1babd 100644 --- a/source/module_base/test_parallel/math_chebyshev_mpi_test.cpp +++ b/source/source_base/test_parallel/math_chebyshev_mpi_test.cpp @@ -1,6 +1,6 @@ #include "../math_chebyshev.h" #include "mpi.h" -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" #include "gmock/gmock.h" #include "gtest/gtest.h" /************************************************ diff --git a/source/module_base/test_parallel/parallel_2d_test.cpp b/source/source_base/test_parallel/parallel_2d_test.cpp similarity index 100% rename from source/module_base/test_parallel/parallel_2d_test.cpp rename to source/source_base/test_parallel/parallel_2d_test.cpp diff --git a/source/module_base/test_parallel/parallel_2d_test.sh b/source/source_base/test_parallel/parallel_2d_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_2d_test.sh rename to source/source_base/test_parallel/parallel_2d_test.sh diff --git a/source/module_base/test_parallel/parallel_common_test.cpp b/source/source_base/test_parallel/parallel_common_test.cpp similarity index 96% rename from source/module_base/test_parallel/parallel_common_test.cpp rename to source/source_base/test_parallel/parallel_common_test.cpp index 111eef0884e..a3d526ab5b6 100644 --- a/source/module_base/test_parallel/parallel_common_test.cpp +++ b/source/source_base/test_parallel/parallel_common_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_common.h" +#include "source_base/parallel_common.h" #include "mpi.h" @@ -14,7 +14,7 @@ /** * The tested functions are wrappers of MPI_Bcast - * in ABACUS, as defined in module_base/parallel_common.h. + * in ABACUS, as defined in source_base/parallel_common.h. * The source is process 0 in all MPI_Bcast * wrappers. */ diff --git a/source/module_base/test_parallel/parallel_common_test.sh b/source/source_base/test_parallel/parallel_common_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_common_test.sh rename to source/source_base/test_parallel/parallel_common_test.sh diff --git a/source/module_base/test_parallel/parallel_global_test.cpp b/source/source_base/test_parallel/parallel_global_test.cpp similarity index 99% rename from source/module_base/test_parallel/parallel_global_test.cpp rename to source/source_base/test_parallel/parallel_global_test.cpp index 8b9e5053a48..bb31af30bc7 100644 --- a/source/module_base/test_parallel/parallel_global_test.cpp +++ b/source/source_base/test_parallel/parallel_global_test.cpp @@ -1,5 +1,5 @@ #ifdef __MPI -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" diff --git a/source/module_base/test_parallel/parallel_global_test.sh b/source/source_base/test_parallel/parallel_global_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_global_test.sh rename to source/source_base/test_parallel/parallel_global_test.sh diff --git a/source/module_base/test_parallel/parallel_reduce_test.cpp b/source/source_base/test_parallel/parallel_reduce_test.cpp similarity index 99% rename from source/module_base/test_parallel/parallel_reduce_test.cpp rename to source/source_base/test_parallel/parallel_reduce_test.cpp index 50d12908991..696de3b485c 100644 --- a/source/module_base/test_parallel/parallel_reduce_test.cpp +++ b/source/source_base/test_parallel/parallel_reduce_test.cpp @@ -1,7 +1,7 @@ #ifdef __MPI -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "mpi.h" #include "gtest/gtest.h" @@ -15,7 +15,7 @@ /** * The tested functions are mainly wrappers of MPI_Allreduce - * and MPI_Allgather in ABACUS, as defined in module_base/ + * and MPI_Allgather in ABACUS, as defined in source_base/ * parallel_reduce.h. * * The logic to test MPI_Allreduce wrapper functions is to diff --git a/source/module_base/test_parallel/parallel_reduce_test.sh b/source/source_base/test_parallel/parallel_reduce_test.sh similarity index 100% rename from source/module_base/test_parallel/parallel_reduce_test.sh rename to source/source_base/test_parallel/parallel_reduce_test.sh diff --git a/source/module_base/test_parallel/test_para_gemm.cpp b/source/source_base/test_parallel/test_para_gemm.cpp similarity index 100% rename from source/module_base/test_parallel/test_para_gemm.cpp rename to source/source_base/test_parallel/test_para_gemm.cpp diff --git a/source/module_base/timer.cpp b/source/source_base/timer.cpp similarity index 99% rename from source/module_base/timer.cpp rename to source/source_base/timer.cpp index 1c2b9d8e597..f7a4be636db 100644 --- a/source/module_base/timer.cpp +++ b/source/source_base/timer.cpp @@ -12,7 +12,7 @@ #include #include "chrono" -#include "module_base/formatter.h" +#include "source_base/formatter.h" namespace ModuleBase { diff --git a/source/module_base/timer.h b/source/source_base/timer.h similarity index 100% rename from source/module_base/timer.h rename to source/source_base/timer.h diff --git a/source/module_base/tool_check.cpp b/source/source_base/tool_check.cpp similarity index 100% rename from source/module_base/tool_check.cpp rename to source/source_base/tool_check.cpp diff --git a/source/module_base/tool_check.h b/source/source_base/tool_check.h similarity index 100% rename from source/module_base/tool_check.h rename to source/source_base/tool_check.h diff --git a/source/module_base/tool_quit.cpp b/source/source_base/tool_quit.cpp similarity index 100% rename from source/module_base/tool_quit.cpp rename to source/source_base/tool_quit.cpp diff --git a/source/module_base/tool_quit.h b/source/source_base/tool_quit.h similarity index 100% rename from source/module_base/tool_quit.h rename to source/source_base/tool_quit.h diff --git a/source/module_base/tool_threading.h b/source/source_base/tool_threading.h similarity index 100% rename from source/module_base/tool_threading.h rename to source/source_base/tool_threading.h diff --git a/source/module_base/tool_title.cpp b/source/source_base/tool_title.cpp similarity index 100% rename from source/module_base/tool_title.cpp rename to source/source_base/tool_title.cpp diff --git a/source/module_base/tool_title.h b/source/source_base/tool_title.h similarity index 100% rename from source/module_base/tool_title.h rename to source/source_base/tool_title.h diff --git a/source/module_base/vector3.h b/source/source_base/vector3.h similarity index 100% rename from source/module_base/vector3.h rename to source/source_base/vector3.h diff --git a/source/module_base/ylm.cpp b/source/source_base/ylm.cpp similarity index 100% rename from source/module_base/ylm.cpp rename to source/source_base/ylm.cpp diff --git a/source/module_base/ylm.h b/source/source_base/ylm.h similarity index 100% rename from source/module_base/ylm.h rename to source/source_base/ylm.h diff --git a/source/source_esolver/esolver.cpp b/source/source_esolver/esolver.cpp index c3a7c4d5bc0..44247224ded 100644 --- a/source/source_esolver/esolver.cpp +++ b/source/source_esolver/esolver.cpp @@ -2,7 +2,7 @@ #include "esolver_ks_pw.h" #include "esolver_sdft_pw.h" -#include "module_base/module_device/device.h" +#include "source_base/module_device/device.h" #include "module_parameter/parameter.h" #ifdef __LCAO #include "esolver_dm2rho.h" @@ -13,7 +13,7 @@ #include "module_lr/esolver_lrtd_lcao.h" extern "C" { -#include "module_base/blacs_connector.h" +#include "source_base/blacs_connector.h" } #endif #include "esolver_dp.h" diff --git a/source/source_esolver/esolver.h b/source/source_esolver/esolver.h index d8890523483..c24512c28c2 100644 --- a/source/source_esolver/esolver.h +++ b/source/source_esolver/esolver.h @@ -1,7 +1,7 @@ #ifndef ESOLVER_H #define ESOLVER_H -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_cell/unitcell.h" #include "module_parameter/parameter.h" diff --git a/source/source_esolver/esolver_dm2rho.cpp b/source/source_esolver/esolver_dm2rho.cpp index 2a10c713067..313eb0aeaed 100644 --- a/source/source_esolver/esolver_dm2rho.cpp +++ b/source/source_esolver/esolver_dm2rho.cpp @@ -1,6 +1,6 @@ #include "esolver_dm2rho.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_dp.cpp b/source/source_esolver/esolver_dp.cpp index 1ca9939c359..bb9666aeaf0 100644 --- a/source/source_esolver/esolver_dp.cpp +++ b/source/source_esolver/esolver_dp.cpp @@ -19,8 +19,8 @@ */ #include "esolver_dp.h" -#include "module_base/parallel_common.h" -#include "module_base/timer.h" +#include "source_base/parallel_common.h" +#include "source_base/timer.h" #include "module_io/output_log.h" #include "module_io/cif_io.h" diff --git a/source/source_esolver/esolver_fp.cpp b/source/source_esolver/esolver_fp.cpp index 5aebb6724e0..8318a261797 100644 --- a/source/source_esolver/esolver_fp.cpp +++ b/source/source_esolver/esolver_fp.cpp @@ -1,6 +1,6 @@ #include "esolver_fp.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_gets.cpp b/source/source_esolver/esolver_gets.cpp index 734790ca1c4..bc00f18300f 100644 --- a/source/source_esolver/esolver_gets.cpp +++ b/source/source_esolver/esolver_gets.cpp @@ -1,6 +1,6 @@ #include "esolver_gets.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/read_pseudo.h" diff --git a/source/source_esolver/esolver_ks.cpp b/source/source_esolver/esolver_ks.cpp index 9bfca23bfdc..3f11ab4ae15 100644 --- a/source/source_esolver/esolver_ks.cpp +++ b/source/source_esolver/esolver_ks.cpp @@ -3,8 +3,8 @@ // To setup plane wave for electronic wave functions #include "pw_setup.h" -#include "module_base/timer.h" -#include "module_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_parameter/parameter.h" #include "module_hamilt_lcao/module_dftu/dftu.h" diff --git a/source/source_esolver/esolver_ks_lcao.cpp b/source/source_esolver/esolver_ks_lcao.cpp index ab4bac8ae75..7c565a6fded 100644 --- a/source/source_esolver/esolver_ks_lcao.cpp +++ b/source/source_esolver/esolver_ks_lcao.cpp @@ -2,9 +2,9 @@ #include "module_io/write_proj_band_lcao.h" // projcted band structure -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/tool_title.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/tool_title.h" #include "module_elecstate/elecstate_tools.h" #include "module_elecstate/module_dm/cal_dm_psi.h" @@ -34,7 +34,7 @@ #include "module_io/write_vxc.hpp" #include "module_io/write_vxc_r.hpp" -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/module_charge/symmetry_rho.h" diff --git a/source/source_esolver/esolver_ks_lcao_tddft.cpp b/source/source_esolver/esolver_ks_lcao_tddft.cpp index b338d7e2dcc..b6d6d260d63 100644 --- a/source/source_esolver/esolver_ks_lcao_tddft.cpp +++ b/source/source_esolver/esolver_ks_lcao_tddft.cpp @@ -8,10 +8,10 @@ #include "module_elecstate/elecstate_tools.h" //--------------temporary---------------------------- -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/cal_edm_tddft.h" diff --git a/source/source_esolver/esolver_ks_lcao_tddft.h b/source/source_esolver/esolver_ks_lcao_tddft.h index 862b16a6ca1..25ed68bcc50 100644 --- a/source/source_esolver/esolver_ks_lcao_tddft.h +++ b/source/source_esolver/esolver_ks_lcao_tddft.h @@ -2,7 +2,7 @@ #define ESOLVER_KS_LCAO_TDDFT_H #include "esolver_ks.h" #include "esolver_ks_lcao.h" -#include "module_base/scalapack_connector.h" // Cpxgemr2d +#include "source_base/scalapack_connector.h" // Cpxgemr2d #include "module_hamilt_lcao/hamilt_lcaodft/record_adj.h" #include "module_psi/psi.h" diff --git a/source/source_esolver/esolver_ks_lcaopw.cpp b/source/source_esolver/esolver_ks_lcaopw.cpp index 2f071379960..d9ddcdb52cd 100644 --- a/source/source_esolver/esolver_ks_lcaopw.cpp +++ b/source/source_esolver/esolver_ks_lcaopw.cpp @@ -18,14 +18,14 @@ //-----stress------------------ #include "module_hamilt_pw/hamilt_pwdft/stress_pw.h" //--------------------------------------------------- -#include "module_base/memory.h" +#include "source_base/memory.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_lcaopw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include "source_hsolver/diago_iter_assist.h" #include "source_hsolver/hsolver_lcaopw.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_io/berryphase.h" #include "module_io/numerical_basis.h" #include "module_io/numerical_descriptor.h" diff --git a/source/source_esolver/esolver_ks_pw.cpp b/source/source_esolver/esolver_ks_pw.cpp index 7ead98436b7..366f92b15d1 100644 --- a/source/source_esolver/esolver_ks_pw.cpp +++ b/source/source_esolver/esolver_ks_pw.cpp @@ -1,9 +1,9 @@ #include "esolver_ks_pw.h" -#include "module_base/formatter.h" -#include "module_base/global_variable.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/memory.h" +#include "source_base/formatter.h" +#include "source_base/global_variable.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/memory.h" #include "module_elecstate/cal_ux.h" #include "module_elecstate/elecstate_pw.h" #include "module_elecstate/elecstate_pw_sdft.h" @@ -44,7 +44,7 @@ #include #ifdef __DSP -#include "module_base/kernels/dsp/dsp_connector.h" +#include "source_base/kernels/dsp/dsp_connector.h" #endif #include diff --git a/source/source_esolver/esolver_ks_pw.h b/source/source_esolver/esolver_ks_pw.h index c1650861771..adc48dae302 100644 --- a/source/source_esolver/esolver_ks_pw.h +++ b/source/source_esolver/esolver_ks_pw.h @@ -7,7 +7,7 @@ #include "module_hamilt_pw/hamilt_pwdft/global.h" #include -#include +#include namespace ModuleESolver { diff --git a/source/source_esolver/esolver_of.cpp b/source/source_esolver/esolver_of.cpp index f19e65a5387..42791b387f4 100644 --- a/source/source_esolver/esolver_of.cpp +++ b/source/source_esolver/esolver_of.cpp @@ -5,7 +5,7 @@ #include "module_io/output_log.h" #include "module_io/write_elecstat_pot.h" //-----------temporary------------------------- -#include "module_base/global_function.h" +#include "source_base/global_function.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_general/module_ewald/H_Ewald_pw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/source_esolver/esolver_of.h b/source/source_esolver/esolver_of.h index 222dfd74fcb..301253041c4 100644 --- a/source/source_esolver/esolver_of.h +++ b/source/source_esolver/esolver_of.h @@ -2,8 +2,8 @@ #define ESOLVER_OF_H #include "esolver_fp.h" -#include "module_base/opt_DCsrch.h" -#include "module_base/opt_TN.hpp" +#include "source_base/opt_DCsrch.h" +#include "source_base/opt_TN.hpp" #include "module_elecstate/module_charge/charge.h" #include "module_hamilt_pw/hamilt_ofdft/kedf_lkt.h" #include "module_hamilt_pw/hamilt_ofdft/kedf_tf.h" diff --git a/source/source_esolver/esolver_of_tool.cpp b/source/source_esolver/esolver_of_tool.cpp index 48f44e5fe8b..efa3980b8fa 100644 --- a/source/source_esolver/esolver_of_tool.cpp +++ b/source/source_esolver/esolver_of_tool.cpp @@ -1,6 +1,6 @@ #include "esolver_of.h" -#include "module_base/formatter.h" -#include "module_base/memory.h" +#include "source_base/formatter.h" +#include "source_base/memory.h" #include "module_elecstate/module_pot/efield.h" #include "module_elecstate/module_pot/gatefield.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" diff --git a/source/source_esolver/esolver_sdft_pw.cpp b/source/source_esolver/esolver_sdft_pw.cpp index 6559b3a7782..f8bd9d1864a 100644 --- a/source/source_esolver/esolver_sdft_pw.cpp +++ b/source/source_esolver/esolver_sdft_pw.cpp @@ -1,7 +1,7 @@ #include "esolver_sdft_pw.h" -#include "module_base/global_variable.h" -#include "module_base/memory.h" +#include "source_base/global_variable.h" +#include "source_base/memory.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_hamilt_pw/hamilt_stodft/sto_dos.h" #include "module_hamilt_pw/hamilt_stodft/sto_elecond.h" diff --git a/source/source_esolver/lcao_before_scf.cpp b/source/source_esolver/lcao_before_scf.cpp index 58a6ea441d7..f328b786e34 100644 --- a/source/source_esolver/lcao_before_scf.cpp +++ b/source/source_esolver/lcao_before_scf.cpp @@ -4,7 +4,7 @@ #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_io/berryphase.h" @@ -19,7 +19,7 @@ #ifdef __MLALGO #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #endif -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h" diff --git a/source/source_esolver/lcao_others.cpp b/source/source_esolver/lcao_others.cpp index 1f60903d617..b9a38e1c7f0 100644 --- a/source/source_esolver/lcao_others.cpp +++ b/source/source_esolver/lcao_others.cpp @@ -5,7 +5,7 @@ #include "module_hamilt_lcao/module_dftu/dftu.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" // -#include "module_base/timer.h" +#include "source_base/timer.h" #include "module_cell/module_neighbor/sltk_atom_arrange.h" #include "module_cell/module_neighbor/sltk_grid_driver.h" #include "module_io/berryphase.h" @@ -18,7 +18,7 @@ #ifdef __MLALGO #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h" #endif -#include "module_base/formatter.h" +#include "source_base/formatter.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" diff --git a/source/source_esolver/pw_others.cpp b/source/source_esolver/pw_others.cpp index 013e4eb9d74..53556d229b4 100644 --- a/source/source_esolver/pw_others.cpp +++ b/source/source_esolver/pw_others.cpp @@ -1,6 +1,6 @@ #include "esolver_ks_pw.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_hamilt_pw/hamilt_pwdft/elecond.h" #include "module_io/input_conv.h" #include "module_io/nscf_band.h" @@ -19,15 +19,15 @@ //-----stress------------------ #include "module_hamilt_pw/hamilt_pwdft/stress_pw.h" //--------------------------------------------------- -#include "module_base/memory.h" -#include "module_base/module_device/device.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/module_vdw/vdw.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" #include "source_hsolver/diago_iter_assist.h" #include "source_hsolver/hsolver_pw.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "module_io/berryphase.h" #include "module_io/numerical_basis.h" #include "module_io/numerical_descriptor.h" @@ -39,7 +39,7 @@ #include #include -#include "module_base/formatter.h" +#include "source_base/formatter.h" // mohan add 2025-03-06 #include "module_io/cal_test.h" diff --git a/source/source_esolver/pw_setup.cpp b/source/source_esolver/pw_setup.cpp index b3f6cb9a074..3478fc5724a 100644 --- a/source/source_esolver/pw_setup.cpp +++ b/source/source_esolver/pw_setup.cpp @@ -1,7 +1,7 @@ #include "pw_setup.h" // To get POOL_WORLD -#include "module_base/parallel_comm.h" +#include "source_base/parallel_comm.h" // Print information #include "module_io/print_info.h" diff --git a/source/source_hsolver/diag_const_nums.h b/source/source_hsolver/diag_const_nums.h index 24a33194e18..05520e4e84a 100644 --- a/source/source_hsolver/diag_const_nums.h +++ b/source/source_hsolver/diag_const_nums.h @@ -1,6 +1,6 @@ #ifndef DIAG_CONST_NUMS #define DIAG_CONST_NUMS -#include "module_base/module_device/memory_op.h" +#include "source_base/module_device/memory_op.h" template struct const_nums diff --git a/source/source_hsolver/diag_hs_para.cpp b/source/source_hsolver/diag_hs_para.cpp index 8246fb2a3fa..b68eeebf3ca 100644 --- a/source/source_hsolver/diag_hs_para.cpp +++ b/source/source_hsolver/diag_hs_para.cpp @@ -1,7 +1,7 @@ #include "source_hsolver/diag_hs_para.h" -#include "module_base/scalapack_connector.h" -#include "module_base/parallel_2d.h" +#include "source_base/scalapack_connector.h" +#include "source_base/parallel_2d.h" #include "source_hsolver/diago_pxxxgvx.h" #ifdef __ELPA diff --git a/source/source_hsolver/diag_hs_para.h b/source/source_hsolver/diag_hs_para.h index 659f3b07810..ba7cae70a39 100644 --- a/source/source_hsolver/diag_hs_para.h +++ b/source/source_hsolver/diag_hs_para.h @@ -1,5 +1,5 @@ -#include "module_base/parallel_2d.h" -#include "module_base/macros.h" +#include "source_base/parallel_2d.h" +#include "source_base/macros.h" #ifdef __MPI #include diff --git a/source/source_hsolver/diago_bpcg.cpp b/source/source_hsolver/diago_bpcg.cpp index c04be1699b1..4c06e19d2be 100644 --- a/source/source_hsolver/diago_bpcg.cpp +++ b/source/source_hsolver/diago_bpcg.cpp @@ -1,10 +1,10 @@ #include "source_hsolver/diago_bpcg.h" #include "diago_iter_assist.h" -#include "module_base/blas_connector.h" -#include "module_base/global_function.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_comm.h" // different MPI worlds +#include "source_base/blas_connector.h" +#include "source_base/global_function.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_comm.h" // different MPI worlds #include "source_hsolver/kernels/bpcg_kernel_op.h" #include "para_linear_transform.h" diff --git a/source/source_hsolver/diago_bpcg.h b/source/source_hsolver/diago_bpcg.h index 7c1553184de..cb0232c8c71 100644 --- a/source/source_hsolver/diago_bpcg.h +++ b/source/source_hsolver/diago_bpcg.h @@ -1,10 +1,10 @@ #ifndef DIAGO_BPCG_H_ #define DIAGO_BPCG_H_ -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/module_device/types.h" -#include "module_base/para_gemm.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/module_device/types.h" +#include "source_base/para_gemm.h" #include "module_hamilt_general/hamilt.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "source_hsolver/kernels/dngvd_op.h" @@ -12,7 +12,7 @@ #include #include -#include +#include namespace hsolver { @@ -347,7 +347,7 @@ class DiagoBPCG using syncmem_complex_op = ct::kernels::synchronize_memory; // note: these operators use template parameter base_device::Device_* - // defined in module_base/module_device/types.h + // defined in source_base/module_device/types.h // different from ct_Device! using gemm_op = ModuleBase::gemm_op; diff --git a/source/source_hsolver/diago_cg.cpp b/source/source_hsolver/diago_cg.cpp index 7b4a1a9f79b..0c8f5b81e75 100644 --- a/source/source_hsolver/diago_cg.cpp +++ b/source/source_hsolver/diago_cg.cpp @@ -4,12 +4,12 @@ #include #include #include -#include -#include -#include -#include -#include // ModuleBase::TITLE -#include // ModuleBase::GlobalFunc::NOTE +#include +#include +#include +#include +#include // ModuleBase::TITLE +#include // ModuleBase::GlobalFunc::NOTE #include using namespace hsolver; diff --git a/source/source_hsolver/diago_cg.h b/source/source_hsolver/diago_cg.h index 9d254ded186..09ef0b25ab9 100644 --- a/source/source_hsolver/diago_cg.h +++ b/source/source_hsolver/diago_cg.h @@ -3,8 +3,8 @@ #include -#include -#include +#include +#include #include #include diff --git a/source/source_hsolver/diago_cusolver.cpp b/source/source_hsolver/diago_cusolver.cpp index efaf20a28aa..0ab1f0e2765 100644 --- a/source/source_hsolver/diago_cusolver.cpp +++ b/source/source_hsolver/diago_cusolver.cpp @@ -1,9 +1,9 @@ #include "diago_cusolver.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" #include "module_parameter/parameter.h" #include diff --git a/source/source_hsolver/diago_cusolver.h b/source/source_hsolver/diago_cusolver.h index 1921b32e703..d9b0179e97b 100644 --- a/source/source_hsolver/diago_cusolver.h +++ b/source/source_hsolver/diago_cusolver.h @@ -1,7 +1,7 @@ #ifndef DIAGOCUSOLVER_H #define DIAGOCUSOLVER_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/kernels/cuda/diag_cusolver.cuh" diff --git a/source/source_hsolver/diago_cusolvermp.cpp b/source/source_hsolver/diago_cusolvermp.cpp index 09aa85940bd..ea8112b78d4 100644 --- a/source/source_hsolver/diago_cusolvermp.cpp +++ b/source/source_hsolver/diago_cusolvermp.cpp @@ -3,7 +3,7 @@ #include "module_parameter/parameter.h" #include "diago_cusolvermp.h" -#include "module_base/timer.h" +#include "source_base/timer.h" using complex = std::complex; diff --git a/source/source_hsolver/diago_cusolvermp.h b/source/source_hsolver/diago_cusolvermp.h index 02cc22568ff..384f60f3475 100644 --- a/source/source_hsolver/diago_cusolvermp.h +++ b/source/source_hsolver/diago_cusolvermp.h @@ -3,7 +3,7 @@ #ifdef __CUSOLVERMP #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/kernels/cuda/diag_cusolvermp.cuh" namespace hsolver diff --git a/source/source_hsolver/diago_dav_subspace.cpp b/source/source_hsolver/diago_dav_subspace.cpp index 4efe46b2abc..faa75a97d33 100644 --- a/source/source_hsolver/diago_dav_subspace.cpp +++ b/source/source_hsolver/diago_dav_subspace.cpp @@ -1,13 +1,13 @@ #include "diago_dav_subspace.h" #include "diago_iter_assist.h" -#include "module_base/memory.h" -#include "module_base/module_device/device.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/module_device/device.h" +#include "source_base/timer.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" -#include "module_base/kernels/dsp/dsp_connector.h" +#include "source_base/kernels/dsp/dsp_connector.h" #include "source_hsolver/diag_hs_para.h" diff --git a/source/source_hsolver/diago_dav_subspace.h b/source/source_hsolver/diago_dav_subspace.h index a6dd87d7993..bf3a9ca6f5e 100644 --- a/source/source_hsolver/diago_dav_subspace.h +++ b/source/source_hsolver/diago_dav_subspace.h @@ -1,9 +1,9 @@ #ifndef DIAGO_NEW_DAV_H #define DIAGO_NEW_DAV_H -#include "module_base/macros.h" // GetRealType -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h"// base_device::memory" +#include "source_base/macros.h" // GetRealType +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h"// base_device::memory" #include "source_hsolver/diag_comm_info.h" #include "source_hsolver/diag_const_nums.h" diff --git a/source/source_hsolver/diago_david.cpp b/source/source_hsolver/diago_david.cpp index ec1599bee81..18cfc2526c8 100644 --- a/source/source_hsolver/diago_david.cpp +++ b/source/source_hsolver/diago_david.cpp @@ -1,11 +1,11 @@ #include "diago_david.h" -#include "module_base/timer.h" // ModuleBase::timer::tick -#include "module_base/tool_title.h" // ModuleBase::TITLE -#include "module_base/module_device/device.h" +#include "source_base/timer.h" // ModuleBase::timer::tick +#include "source_base/tool_title.h" // ModuleBase::TITLE +#include "source_base/module_device/device.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" using namespace hsolver; diff --git a/source/source_hsolver/diago_david.h b/source/source_hsolver/diago_david.h index 8ea981d3428..4c6146687c0 100644 --- a/source/source_hsolver/diago_david.h +++ b/source/source_hsolver/diago_david.h @@ -1,9 +1,9 @@ #ifndef DIAGODAVID_H #define DIAGODAVID_H -#include "module_base/macros.h" // GetRealType -#include "module_base/module_device/device.h" // base_device -#include "module_base/module_device/memory_op.h"// base_device::memory +#include "source_base/macros.h" // GetRealType +#include "source_base/module_device/device.h" // base_device +#include "source_base/module_device/memory_op.h"// base_device::memory #include "source_hsolver/diag_comm_info.h" diff --git a/source/source_hsolver/diago_elpa.cpp b/source/source_hsolver/diago_elpa.cpp index 78ce0179d06..3004fdcb617 100644 --- a/source/source_hsolver/diago_elpa.cpp +++ b/source/source_hsolver/diago_elpa.cpp @@ -2,12 +2,12 @@ #include "module_parameter/parameter.h" #include "genelpa/elpa_solver.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" typedef hamilt::MatrixBlock matd; typedef hamilt::MatrixBlock> matcd; diff --git a/source/source_hsolver/diago_elpa.h b/source/source_hsolver/diago_elpa.h index 0ebe236ddbe..5f5e2915c81 100644 --- a/source/source_hsolver/diago_elpa.h +++ b/source/source_hsolver/diago_elpa.h @@ -1,7 +1,7 @@ #ifndef DIAGOELPA_H #define DIAGOELPA_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/source_hsolver/diago_elpa_native.cpp b/source/source_hsolver/diago_elpa_native.cpp index ad7846d7ee6..a60c6c71f01 100644 --- a/source/source_hsolver/diago_elpa_native.cpp +++ b/source/source_hsolver/diago_elpa_native.cpp @@ -1,12 +1,12 @@ #include "diago_elpa_native.h" -#include "module_base/blacs_connector.h" -#include "module_base/global_variable.h" +#include "source_base/blacs_connector.h" +#include "source_base/global_variable.h" #include "module_parameter/parameter.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "source_hsolver/genelpa/elpa_new.h" #include "omp.h" diff --git a/source/source_hsolver/diago_elpa_native.h b/source/source_hsolver/diago_elpa_native.h index 63415b79a7b..5073f3657ea 100644 --- a/source/source_hsolver/diago_elpa_native.h +++ b/source/source_hsolver/diago_elpa_native.h @@ -1,7 +1,7 @@ #ifndef DIAGOELPANATIVE_H #define DIAGOELPANATIVE_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_basis/module_ao/parallel_orbitals.h" diff --git a/source/source_hsolver/diago_iter_assist.cpp b/source/source_hsolver/diago_iter_assist.cpp index d2bfb71e781..704249c85e0 100644 --- a/source/source_hsolver/diago_iter_assist.cpp +++ b/source/source_hsolver/diago_iter_assist.cpp @@ -1,15 +1,15 @@ #include "diago_iter_assist.h" #include "module_parameter/parameter.h" -#include "module_base/blas_connector.h" -#include "module_base/complexmatrix.h" -#include "module_base/constants.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_device/device.h" -#include "module_base/parallel_reduce.h" -#include "module_base/timer.h" +#include "source_base/blas_connector.h" +#include "source_base/complexmatrix.h" +#include "source_base/constants.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_device/device.h" +#include "source_base/parallel_reduce.h" +#include "source_base/timer.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" namespace hsolver { diff --git a/source/source_hsolver/diago_iter_assist.h b/source/source_hsolver/diago_iter_assist.h index c5c4e9cfaaf..97520dcfe59 100644 --- a/source/source_hsolver/diago_iter_assist.h +++ b/source/source_hsolver/diago_iter_assist.h @@ -1,8 +1,8 @@ #ifndef DIAGOITERASSIST_H #define DIAGOITERASSIST_H -#include "module_base/complexmatrix.h" -#include "module_base/macros.h" +#include "source_base/complexmatrix.h" +#include "source_base/macros.h" #include "module_hamilt_general/hamilt.h" #include "module_psi/psi.h" diff --git a/source/source_hsolver/diago_lapack.cpp b/source/source_hsolver/diago_lapack.cpp index 6a4efcb5560..a1c2edd7b14 100644 --- a/source/source_hsolver/diago_lapack.cpp +++ b/source/source_hsolver/diago_lapack.cpp @@ -4,10 +4,10 @@ #include "diago_lapack.h" -#include "module_base/global_variable.h" -#include "module_base/lapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" typedef hamilt::MatrixBlock matd; diff --git a/source/source_hsolver/diago_lapack.h b/source/source_hsolver/diago_lapack.h index f787b9054f1..d7c060838d4 100644 --- a/source/source_hsolver/diago_lapack.h +++ b/source/source_hsolver/diago_lapack.h @@ -8,9 +8,9 @@ #ifndef DIAGOLAPACK_H #define DIAGOLAPACK_H -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" -#include "module_base/matrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" #include diff --git a/source/source_hsolver/diago_pexsi.cpp b/source/source_hsolver/diago_pexsi.cpp index 85df14c9af7..5db73962d9b 100644 --- a/source/source_hsolver/diago_pexsi.cpp +++ b/source/source_hsolver/diago_pexsi.cpp @@ -4,8 +4,8 @@ #include #ifdef __PEXSI #include "diago_pexsi.h" -#include "module_base/global_variable.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/tool_quit.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_pexsi/pexsi_solver.h" diff --git a/source/source_hsolver/diago_pexsi.h b/source/source_hsolver/diago_pexsi.h index e593e3b6699..be44df5037a 100644 --- a/source/source_hsolver/diago_pexsi.h +++ b/source/source_hsolver/diago_pexsi.h @@ -3,9 +3,9 @@ #include #include -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "module_pexsi/pexsi_solver.h" diff --git a/source/source_hsolver/diago_pxxxgvx.cpp b/source/source_hsolver/diago_pxxxgvx.cpp index 51e29f27ffc..97f336ec81f 100644 --- a/source/source_hsolver/diago_pxxxgvx.cpp +++ b/source/source_hsolver/diago_pxxxgvx.cpp @@ -1,7 +1,7 @@ #include "diago_pxxxgvx.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/source_hsolver/diago_pxxxgvx.h b/source/source_hsolver/diago_pxxxgvx.h index e4f9ba78962..4b1e8486a0e 100644 --- a/source/source_hsolver/diago_pxxxgvx.h +++ b/source/source_hsolver/diago_pxxxgvx.h @@ -1,7 +1,7 @@ #ifndef HSOLVER_DIAGO_PXXXGVX_H #define HSOLVER_DIAGO_PXXXGVX_H #include -#include "module_base/macros.h" +#include "source_base/macros.h" namespace hsolver { diff --git a/source/source_hsolver/diago_scalapack.cpp b/source/source_hsolver/diago_scalapack.cpp index 92388fd461d..3ebe5416fde 100644 --- a/source/source_hsolver/diago_scalapack.cpp +++ b/source/source_hsolver/diago_scalapack.cpp @@ -11,9 +11,9 @@ #include #include -#include "module_base/global_function.h" -#include "module_base/global_variable.h" -#include "module_base/scalapack_connector.h" +#include "source_base/global_function.h" +#include "source_base/global_variable.h" +#include "source_base/scalapack_connector.h" #include "module_hamilt_general/matrixblock.h" typedef hamilt::MatrixBlock matd; diff --git a/source/source_hsolver/diago_scalapack.h b/source/source_hsolver/diago_scalapack.h index 1ac2e31ab4a..ea9d8f65676 100644 --- a/source/source_hsolver/diago_scalapack.h +++ b/source/source_hsolver/diago_scalapack.h @@ -12,11 +12,11 @@ #include #include -#include "module_base/macros.h" // GetRealType +#include "source_base/macros.h" // GetRealType #include "module_hamilt_general/hamilt.h" #include "module_psi/psi.h" -#include "module_base/complexmatrix.h" -#include "module_base/matrix.h" +#include "source_base/complexmatrix.h" +#include "source_base/matrix.h" #include "module_basis/module_ao/parallel_orbitals.h" namespace hsolver diff --git a/source/source_hsolver/genelpa/elpa_new_complex.cpp b/source/source_hsolver/genelpa/elpa_new_complex.cpp index 044cfbe6fdf..63c75785929 100644 --- a/source/source_hsolver/genelpa/elpa_new_complex.cpp +++ b/source/source_hsolver/genelpa/elpa_new_complex.cpp @@ -9,10 +9,10 @@ #include "elpa_new.h" #include "elpa_solver.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "utils.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" extern std::map NEW_ELPA_HANDLE_POOL; diff --git a/source/source_hsolver/genelpa/elpa_new_real.cpp b/source/source_hsolver/genelpa/elpa_new_real.cpp index 3a82897a516..beeb7ae540b 100644 --- a/source/source_hsolver/genelpa/elpa_new_real.cpp +++ b/source/source_hsolver/genelpa/elpa_new_real.cpp @@ -1,10 +1,10 @@ #include "elpa_new.h" #include "elpa_solver.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #include "utils.h" -#include "module_base/tool_quit.h" +#include "source_base/tool_quit.h" #include #include diff --git a/source/source_hsolver/genelpa/utils.cpp b/source/source_hsolver/genelpa/utils.cpp index 370ce0cf055..e42eab2d5a8 100644 --- a/source/source_hsolver/genelpa/utils.cpp +++ b/source/source_hsolver/genelpa/utils.cpp @@ -1,7 +1,7 @@ #include "utils.h" -#include "module_base/blacs_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/scalapack_connector.h" #include #include diff --git a/source/source_hsolver/hsolver_lcao.cpp b/source/source_hsolver/hsolver_lcao.cpp index 9aafbbcab00..fbdd2cf6e84 100644 --- a/source/source_hsolver/hsolver_lcao.cpp +++ b/source/source_hsolver/hsolver_lcao.cpp @@ -2,7 +2,7 @@ #ifdef __MPI #include "diago_scalapack.h" -#include "module_base/scalapack_connector.h" +#include "source_base/scalapack_connector.h" #else #include "diago_lapack.h" #endif @@ -24,10 +24,10 @@ #include "diago_pexsi.h" #endif -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "module_elecstate/elecstate_tools.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "module_elecstate/elecstate_lcao.h" #include "module_elecstate/module_dm/cal_dm_psi.h" #include "module_elecstate/module_dm/density_matrix.h" diff --git a/source/source_hsolver/hsolver_lcaopw.cpp b/source/source_hsolver/hsolver_lcaopw.cpp index a279d4c8cc3..e69a39cc337 100644 --- a/source/source_hsolver/hsolver_lcaopw.cpp +++ b/source/source_hsolver/hsolver_lcaopw.cpp @@ -1,9 +1,9 @@ #include "hsolver_lcaopw.h" -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" // for MPI -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" // for MPI +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" diff --git a/source/source_hsolver/hsolver_lcaopw.h b/source/source_hsolver/hsolver_lcaopw.h index 4b29901ad9e..e2017fe95c2 100644 --- a/source/source_hsolver/hsolver_lcaopw.h +++ b/source/source_hsolver/hsolver_lcaopw.h @@ -3,8 +3,8 @@ #include "module_elecstate/elecstate.h" #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/hsolver_pw.cpp b/source/source_hsolver/hsolver_pw.cpp index d6caafeab3a..b45fb2f850c 100644 --- a/source/source_hsolver/hsolver_pw.cpp +++ b/source/source_hsolver/hsolver_pw.cpp @@ -1,8 +1,8 @@ #include "hsolver_pw.h" -#include "module_base/global_variable.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" +#include "source_base/global_variable.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" #include "module_elecstate/elecstate_pw.h" #include "module_hamilt_general/hamilt.h" #include "source_hsolver/diag_comm_info.h" diff --git a/source/source_hsolver/hsolver_pw.h b/source/source_hsolver/hsolver_pw.h index 3a52293fb2f..b1f251c37ec 100644 --- a/source/source_hsolver/hsolver_pw.h +++ b/source/source_hsolver/hsolver_pw.h @@ -3,10 +3,10 @@ #include "module_elecstate/elecstate.h" #include "module_hamilt_general/hamilt.h" -#include "module_base/macros.h" +#include "source_base/macros.h" #include "module_basis/module_pw/pw_basis_k.h" #include -#include "module_base/memory.h" +#include "source_base/memory.h" namespace hsolver { diff --git a/source/source_hsolver/hsolver_pw_sdft.cpp b/source/source_hsolver/hsolver_pw_sdft.cpp index 34082847772..a41cdf43ce5 100644 --- a/source/source_hsolver/hsolver_pw_sdft.cpp +++ b/source/source_hsolver/hsolver_pw_sdft.cpp @@ -1,9 +1,9 @@ #include "hsolver_pw_sdft.h" -#include "module_base/global_function.h" -#include "module_base/parallel_device.h" -#include "module_base/timer.h" -#include "module_base/tool_title.h" +#include "source_base/global_function.h" +#include "source_base/parallel_device.h" +#include "source_base/timer.h" +#include "source_base/tool_title.h" #include "module_elecstate/module_charge/symmetry_rho.h" #include "module_elecstate/elecstate_tools.h" diff --git a/source/source_hsolver/kernels/bpcg_kernel_op.cpp b/source/source_hsolver/kernels/bpcg_kernel_op.cpp index afd4be384c5..0fc0e1b8f91 100644 --- a/source/source_hsolver/kernels/bpcg_kernel_op.cpp +++ b/source/source_hsolver/kernels/bpcg_kernel_op.cpp @@ -1,7 +1,7 @@ #include "source_hsolver/kernels/bpcg_kernel_op.h" -#include "module_base/blas_connector.h" -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/parallel_reduce.h" +#include "source_base/blas_connector.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/parallel_reduce.h" #include namespace hsolver { diff --git a/source/source_hsolver/kernels/bpcg_kernel_op.h b/source/source_hsolver/kernels/bpcg_kernel_op.h index 31afb74caa7..802ee3c1e4c 100644 --- a/source/source_hsolver/kernels/bpcg_kernel_op.h +++ b/source/source_hsolver/kernels/bpcg_kernel_op.h @@ -1,7 +1,7 @@ #ifndef MODULE_HSOLVER_BPCG_KERNEL_H #define MODULE_HSOLVER_BPCG_KERNEL_H -#include "module_base/macros.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu index 56363260938..e8af5162740 100644 --- a/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu +++ b/source/source_hsolver/kernels/cuda/bpcg_kernel_op.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" #include diff --git a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu index 63f54147d75..15a0eca612f 100644 --- a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu +++ b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cu @@ -1,7 +1,7 @@ #ifdef __CUSOLVERMP #include "diag_cusolvermp.cuh" #include "helper_cuda.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include @@ -12,8 +12,8 @@ extern "C" #include #include #include "helper_cusolver.h" -#include "module_base/global_function.h" -#include "module_base/module_device/device.h" +#include "source_base/global_function.h" +#include "source_base/module_device/device.h" static calError_t allgather(void* src_buf, void* recv_buf, size_t size, void* data, void** request) { MPI_Request req; diff --git a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh index dd4b3e13a67..0e330908dca 100644 --- a/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh +++ b/source/source_hsolver/kernels/cuda/diag_cusolvermp.cuh @@ -6,7 +6,7 @@ #include #include #include -#include "module_base/macros.h" +#include "source_base/macros.h" template class Diag_CusolverMP_gvd diff --git a/source/source_hsolver/kernels/dngvd_op.h b/source/source_hsolver/kernels/dngvd_op.h index d2dd4424126..45468dc1721 100644 --- a/source/source_hsolver/kernels/dngvd_op.h +++ b/source/source_hsolver/kernels/dngvd_op.h @@ -3,10 +3,10 @@ #ifndef MODULE_HSOLVER_DNGVD_H #define MODULE_HSOLVER_DNGVD_H -#include "module_base/macros.h" -#include "module_base/lapack_wrapper.h" -#include "module_base/parallel_reduce.h" -#include "module_base/module_device/types.h" +#include "source_base/macros.h" +#include "source_base/lapack_wrapper.h" +#include "source_base/parallel_reduce.h" +#include "source_base/module_device/types.h" namespace hsolver { diff --git a/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu index 70f6494d2db..095cd4defff 100644 --- a/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu +++ b/source/source_hsolver/kernels/rocm/bpcg_kernel_op.hip.cu @@ -1,4 +1,4 @@ -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include "source_hsolver/kernels/bpcg_kernel_op.h" #include diff --git a/source/source_hsolver/kernels/test/math_dngvd_test.cpp b/source/source_hsolver/kernels/test/math_dngvd_test.cpp index 6cba4caf539..554f5c05a3b 100644 --- a/source/source_hsolver/kernels/test/math_dngvd_test.cpp +++ b/source/source_hsolver/kernels/test/math_dngvd_test.cpp @@ -1,8 +1,8 @@ -#include "module_base/complexmatrix.h" -#include "module_base/lapack_connector.h" -#include "module_base/module_device/memory_op.h" +#include "source_base/complexmatrix.h" +#include "source_base/lapack_connector.h" +#include "source_base/module_device/memory_op.h" #include "source_hsolver/kernels/dngvd_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/source_hsolver/kernels/test/perf_math_kernel.cpp b/source/source_hsolver/kernels/test/perf_math_kernel.cpp index f88de522722..37b55b80222 100644 --- a/source/source_hsolver/kernels/test/perf_math_kernel.cpp +++ b/source/source_hsolver/kernels/test/perf_math_kernel.cpp @@ -1,7 +1,7 @@ -#include "module_base/blas_connector.h" -#include "module_base/constants.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/kernels/math_kernel_op.h" +#include "source_base/blas_connector.h" +#include "source_base/constants.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/kernels/math_kernel_op.h" #include #include diff --git a/source/source_hsolver/module_pexsi/pexsi_solver.cpp b/source/source_hsolver/module_pexsi/pexsi_solver.cpp index e830eb2eaff..68d4b36c8c4 100644 --- a/source/source_hsolver/module_pexsi/pexsi_solver.cpp +++ b/source/source_hsolver/module_pexsi/pexsi_solver.cpp @@ -1,4 +1,4 @@ -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #ifdef __PEXSI #include "module_parameter/parameter.h" #include "pexsi_solver.h" @@ -7,7 +7,7 @@ #include #include -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "simple_pexsi.h" extern MPI_Comm DIAG_WORLD; diff --git a/source/source_hsolver/module_pexsi/simple_pexsi.cpp b/source/source_hsolver/module_pexsi/simple_pexsi.cpp index 55f5a7b823d..9f3146ebce5 100644 --- a/source/source_hsolver/module_pexsi/simple_pexsi.cpp +++ b/source/source_hsolver/module_pexsi/simple_pexsi.cpp @@ -17,10 +17,10 @@ #include "dist_bcd_matrix.h" #include "dist_ccs_matrix.h" #include "dist_matrix_transformer.h" -#include "module_base/lapack_connector.h" -#include "module_base/timer.h" -#include "module_base/tool_quit.h" -#include "module_base/global_variable.h" +#include "source_base/lapack_connector.h" +#include "source_base/timer.h" +#include "source_base/tool_quit.h" +#include "source_base/global_variable.h" #include "source_hsolver/diago_pexsi.h" namespace pexsi diff --git a/source/source_hsolver/para_linear_transform.cpp b/source/source_hsolver/para_linear_transform.cpp index 5a6c8def273..ad5a09025c3 100644 --- a/source/source_hsolver/para_linear_transform.cpp +++ b/source/source_hsolver/para_linear_transform.cpp @@ -1,6 +1,6 @@ #include "para_linear_transform.h" -#include "module_base/timer.h" +#include "source_base/timer.h" #include #include diff --git a/source/source_hsolver/para_linear_transform.h b/source/source_hsolver/para_linear_transform.h index 8e5e69d2036..5651695e0b3 100644 --- a/source/source_hsolver/para_linear_transform.h +++ b/source/source_hsolver/para_linear_transform.h @@ -1,9 +1,9 @@ #ifndef __PARA_LINEAR_TRANSFORM_H__ #define __PARA_LINEAR_TRANSFORM_H__ -#include "module_base/kernels/math_kernel_op.h" -#include "module_base/module_device/device.h" -#include "module_base/module_device/memory_op.h" -#include "module_base/parallel_device.h" +#include "source_base/kernels/math_kernel_op.h" +#include "source_base/module_device/device.h" +#include "source_base/module_device/memory_op.h" +#include "source_base/parallel_device.h" #include #ifdef __MPI diff --git a/source/source_hsolver/parallel_k2d.cpp b/source/source_hsolver/parallel_k2d.cpp index 91ead020825..2f5ce5bd11e 100644 --- a/source/source_hsolver/parallel_k2d.cpp +++ b/source/source_hsolver/parallel_k2d.cpp @@ -1,9 +1,9 @@ #include "parallel_k2d.h" -#include "module_base/parallel_global.h" -#include "module_base/scalapack_connector.h" -#include "module_base/timer.h" -#include "module_base/memory.h" +#include "source_base/parallel_global.h" +#include "source_base/scalapack_connector.h" +#include "source_base/timer.h" +#include "source_base/memory.h" template void Parallel_K2D::set_para_env(int nks, diff --git a/source/source_hsolver/parallel_k2d.h b/source/source_hsolver/parallel_k2d.h index cdd7a951c80..ef799a103a1 100644 --- a/source/source_hsolver/parallel_k2d.h +++ b/source/source_hsolver/parallel_k2d.h @@ -1,7 +1,7 @@ #ifndef PARALLEL_K2D_H #define PARALLEL_K2D_H -#include "module_base/parallel_2d.h" +#include "source_base/parallel_2d.h" #include "module_cell/parallel_kpoints.h" #include "module_hamilt_general/matrixblock.h" #ifdef __MPI diff --git a/source/source_hsolver/test/diago_bpcg_test.cpp b/source/source_hsolver/test/diago_bpcg_test.cpp index 70ae44942e7..89e9e438564 100644 --- a/source/source_hsolver/test/diago_bpcg_test.cpp +++ b/source/source_hsolver/test/diago_bpcg_test.cpp @@ -1,5 +1,5 @@ -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_float_test.cpp b/source/source_hsolver/test/diago_cg_float_test.cpp index fe7cfb699a6..03081bc9167 100644 --- a/source/source_hsolver/test/diago_cg_float_test.cpp +++ b/source/source_hsolver/test/diago_cg_float_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_real_test.cpp b/source/source_hsolver/test/diago_cg_real_test.cpp index 0fda01e3506..be5c8e5fc7b 100644 --- a/source/source_hsolver/test/diago_cg_real_test.cpp +++ b/source/source_hsolver/test/diago_cg_real_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_cg_test.cpp b/source/source_hsolver/test/diago_cg_test.cpp index 0365766638a..293c2eac2d1 100644 --- a/source/source_hsolver/test/diago_cg_test.cpp +++ b/source/source_hsolver/test/diago_cg_test.cpp @@ -2,8 +2,8 @@ #define private public #include "module_parameter/parameter.h" #undef private -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h" #include "module_psi/psi.h" #include "module_hamilt_general/hamilt.h" diff --git a/source/source_hsolver/test/diago_david_float_test.cpp b/source/source_hsolver/test/diago_david_float_test.cpp index 7f4bfd1f887..d8aafa5b703 100644 --- a/source/source_hsolver/test/diago_david_float_test.cpp +++ b/source/source_hsolver/test/diago_david_float_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_david_real_test.cpp b/source/source_hsolver/test/diago_david_real_test.cpp index b9109faa787..c21b012a649 100644 --- a/source/source_hsolver/test/diago_david_real_test.cpp +++ b/source/source_hsolver/test/diago_david_real_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_david_test.cpp b/source/source_hsolver/test/diago_david_test.cpp index 72f4c8ddb3a..63f6e901d53 100644 --- a/source/source_hsolver/test/diago_david_test.cpp +++ b/source/source_hsolver/test/diago_david_test.cpp @@ -4,8 +4,8 @@ #include"diago_mock.h" #include "module_psi/psi.h" #include"gtest/gtest.h" -#include "module_base/inverse_matrix.h" -#include "module_base/lapack_connector.h" +#include "source_base/inverse_matrix.h" +#include "source_base/lapack_connector.h" #include "module_basis/module_pw/test/test_tool.h" #include"mpi.h" diff --git a/source/source_hsolver/test/diago_elpa_utils.h b/source/source_hsolver/test/diago_elpa_utils.h index 91160a253f1..01ca271cde2 100644 --- a/source/source_hsolver/test/diago_elpa_utils.h +++ b/source/source_hsolver/test/diago_elpa_utils.h @@ -1,6 +1,6 @@ -#include "module_base/blacs_connector.h" -#include "module_base/lapack_connector.h" -#include "module_base/scalapack_connector.h" +#include "source_base/blacs_connector.h" +#include "source_base/lapack_connector.h" +#include "source_base/scalapack_connector.h" #include "mpi.h" #include diff --git a/source/source_hsolver/test/diago_lapack_test.cpp b/source/source_hsolver/test/diago_lapack_test.cpp index 01acc2ebbd9..84e667cd375 100644 --- a/source/source_hsolver/test/diago_lapack_test.cpp +++ b/source/source_hsolver/test/diago_lapack_test.cpp @@ -11,7 +11,7 @@ #include #include "source_hsolver/diago_lapack.h" -#include "module_base/lapack_connector.h" +#include "source_base/lapack_connector.h" #define PASSTHRESHOLD 1e-5 #define DETAILINFO false diff --git a/source/source_hsolver/test/diago_mock.h b/source/source_hsolver/test/diago_mock.h index 85a7750fc58..d9f195da2b1 100644 --- a/source/source_hsolver/test/diago_mock.h +++ b/source/source_hsolver/test/diago_mock.h @@ -1,8 +1,8 @@ #include -#include "../../module_base/lapack_connector.h" -#include "../../module_base/blas_connector.h" +#include "../../source_base/lapack_connector.h" +#include "../../source_base/blas_connector.h" #include "mpi.h" -#include "module_base/parallel_reduce.h" +#include "source_base/parallel_reduce.h" #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h" namespace DIAGOTEST @@ -169,7 +169,7 @@ namespace DIAGOTEST #endif } -#include "module_base/macros.h" +#include "source_base/macros.h" template class HPsi { diff --git a/source/source_hsolver/test/diago_pexsi_test.cpp b/source/source_hsolver/test/diago_pexsi_test.cpp index 3918fd43ff6..b59687ecf06 100644 --- a/source/source_hsolver/test/diago_pexsi_test.cpp +++ b/source/source_hsolver/test/diago_pexsi_test.cpp @@ -4,8 +4,8 @@ #include "module_parameter/parameter.h" #undef private -#include "module_base/global_variable.h" -#include "module_base/parallel_global.h" +#include "source_base/global_variable.h" +#include "source_base/parallel_global.h" #include "module_basis/module_ao/parallel_orbitals.h" #include "source_hsolver/module_pexsi/pexsi_solver.h" #include "source_hsolver/test/diago_elpa_utils.h" diff --git a/source/source_hsolver/test/parallel_k2d_test.cpp b/source/source_hsolver/test/parallel_k2d_test.cpp index b025f9184fb..8abceac5d62 100644 --- a/source/source_hsolver/test/parallel_k2d_test.cpp +++ b/source/source_hsolver/test/parallel_k2d_test.cpp @@ -1,7 +1,7 @@ #ifdef __MPI #include "source_hsolver/parallel_k2d.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "gmock/gmock.h" #include "gtest/gtest.h" diff --git a/source/source_hsolver/test/test_hsolver.cpp b/source/source_hsolver/test/test_hsolver.cpp index e20cb363581..6e9ab260097 100644 --- a/source/source_hsolver/test/test_hsolver.cpp +++ b/source/source_hsolver/test/test_hsolver.cpp @@ -6,7 +6,7 @@ #include "hsolver_supplementary_mock.h" #include "source_hsolver/hsolver.h" -#include +#include // template class hsolver::HSolver, base_device::DEVICE_CPU>; // template class hsolver::HSolver, base_device::DEVICE_CPU>; diff --git a/source/source_hsolver/test/test_hsolver_pw.cpp b/source/source_hsolver/test/test_hsolver_pw.cpp index 6f4dbbd07c3..92005551336 100644 --- a/source/source_hsolver/test/test_hsolver_pw.cpp +++ b/source/source_hsolver/test/test_hsolver_pw.cpp @@ -10,7 +10,7 @@ #include "hsolver_supplementary_mock.h" #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "source_hsolver/hsolver_pw.h" #undef private #undef protected diff --git a/source/source_hsolver/test/test_hsolver_sdft.cpp b/source/source_hsolver/test/test_hsolver_sdft.cpp index 777e85a50fb..164bfed37e7 100644 --- a/source/source_hsolver/test/test_hsolver_sdft.cpp +++ b/source/source_hsolver/test/test_hsolver_sdft.cpp @@ -9,7 +9,7 @@ #define protected public #include "hsolver_pw_sup.h" #include "hsolver_supplementary_mock.h" -#include "module_base/global_variable.h" +#include "source_base/global_variable.h" #include "source_hsolver/hsolver_pw.h" #include "source_hsolver/hsolver_pw_sdft.h" #include "module_elecstate/elecstate_pw.h" @@ -389,7 +389,7 @@ class TestHSolverPW_SDFT : public ::testing::Test // } #ifdef __MPI -#include "module_base/timer.h" +#include "source_base/timer.h" #include "mpi.h" int main(int argc, char** argv) { diff --git a/source/source_main/driver.cpp b/source/source_main/driver.cpp index 37f99d482ae..d4970acc964 100644 --- a/source/source_main/driver.cpp +++ b/source/source_main/driver.cpp @@ -1,8 +1,8 @@ #include "source_main/driver.h" -#include "module_base/global_file.h" -#include "module_base/memory.h" -#include "module_base/timer.h" +#include "source_base/global_file.h" +#include "source_base/memory.h" +#include "source_base/timer.h" #include "source_esolver/esolver.h" #include "module_hamilt_pw/hamilt_pwdft/global.h" #include "module_io/cal_test.h" diff --git a/source/source_main/main.cpp b/source/source_main/main.cpp index 4949b922ef1..fb129029e21 100644 --- a/source/source_main/main.cpp +++ b/source/source_main/main.cpp @@ -5,7 +5,7 @@ #include "source_main/driver.h" #include "fftw3.h" -#include "module_base/parallel_global.h" +#include "source_base/parallel_global.h" #include "module_io/parse_args.h" #include "module_parameter/parameter.h" #ifdef _OPENMP From a700c99eeb212d37e2eb76a27fa2a71ec8d94eeb Mon Sep 17 00:00:00 2001 From: Critsium-xy Date: Wed, 18 Jun 2025 23:51:11 +0800 Subject: [PATCH 2/2] Update Makefile --- source/Makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/Makefile b/source/Makefile index 5b9c60dcb29..b3860097f40 100644 --- a/source/Makefile +++ b/source/Makefile @@ -4,7 +4,7 @@ include Makefile.vars # Compiler information #========================== -INCLUDES = -I. -Isource_main -Isource_main/commands -Icommands -I../ -Imodule_base/module_container +INCLUDES = -I. -Isource_main -Isource_main/commands -Icommands -I../ -Isource_base/module_container LIBS = -lm -lpthread OPTS = -std=c++14 -pedantic -m64 ${INCLUDES}