v3.9.0.4

What's Changed

Feature

• Feature: add out_mat_ds to print <phi|dphi> matrix by @dyzheng in deepmodeling#6149
• Feature: LDOS mode for pw by @YuLiu98 in deepmodeling#6167

Fix

• Fix: A bug caused by the incorrect update of DMR for deepks_out_labels>0 but deepks_scf=0 by @ErjieWu in deepmodeling#6155
• Fix: Fix periodic boundary condition search issue by enforcing search_pbc=true by @AsTonyshment in deepmodeling#6163
• Fix: add MPI_Finalize in QUIT function by @Critsium-xy in deepmodeling#6160
• Fix : fix the segment fault of md/relax of deepks by changing location of ld.init_DMR to before_scf by @xuan112358 in deepmodeling#6170

Refactor

• Refactor: reduce the read-in loop in sts_line by @YuLiu98 in deepmodeling#6148
• Refactor the rt-TDDFT integrate tests by @mohanchen in deepmodeling#6157
• Update namespace ModuleGint by @linpeize in deepmodeling#6169
• Keep refactoring the integrate tests by @mohanchen in deepmodeling#6165
• Update get_wf codes and output formats by @mohanchen in deepmodeling#6154

Perf

• Perf: Use phialpha in calculate_HR in DeePKS to avoid duplicate calculations. by @ErjieWu in deepmodeling#6159

Test

• delete some useless integrate tests (in my opinions, we are wasting time to run these tests, they should be covered by unittests) by @mohanchen in deepmodeling#6152
• Add Gtest for GPU pw_basis and pw_basis_k by @A-006 in deepmodeling#6087
• Delete some useless integrate tests by @mohanchen in deepmodeling#6164

Full Changelog: v3.9.0.3...v3.9.0.4