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tJ model implementation: add SPINHOPPING and doublon constraints #87

Description

@tmisawa

Summary

Implemented the tJ model in mVMC (branch: tJ).

5b06975

This change mainly adds doublon-forbidden logic in Monte Carlo updates, initial configuration, and Green’s function evaluation.

Main changes

  • Added SPINHOPPING to UpdateType
  • NExUpdatePath=4 uses SPINHOPPING; NExUpdatePath=5 uses EXCHANGE/SPINHOPPING
  • Added tJ doublon-forbidden conditions in initial configuration
  • Added tJ conditions to GreenFunc1/2 (normal, real, fsz, fsz_real paths)
  • Added post-hop doublon checks that revert state and return 0.0 when violated

Modified files

  • src/mVMC/include/vmcmake.h
  • src/mVMC/include/vmcmake_fsz.h
  • src/mVMC/locgrn.c
  • src/mVMC/locgrn_real.c
  • src/mVMC/locgrn_fsz.c
  • src/mVMC/locgrn_fsz_real.c
  • src/mVMC/vmcmake.c
  • src/mVMC/vmcmake_real.c
  • src/mVMC/vmcmake_fsz.c
  • src/mVMC/vmcmake_fsz_real.c

Notes

  • BackFlow and Lanczos paths are not supported in this implementation.

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