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Refactor:Remove GlobalC::ucell in module_pwdft #5658

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Merged
merged 21 commits into from
Dec 3, 2024
Merged

Refactor:Remove GlobalC::ucell in module_pwdft #5658

merged 21 commits into from
Dec 3, 2024

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@A-006 A-006 commented Dec 1, 2024 •
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What's changed?

  • Remove GlobalC::ucell in module_pwdft
  • The module_pwdft/forces.cpp containes elestate,it will be update when the module_elestate change.
  • The module_pwdft/stress_func_cc.cpp containes elestate,it will be update when the module_elestate change.
  • The moudle_pwdft/structure_factor_k..cpp should change the eslover virtul funciton,it should be consiered later.

@A-006 A-006 marked this pull request as draft December 1, 2024 13:16
mohanchen
mohanchen reviewed Dec 2, 2024
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@A-006 A-006 marked this pull request as ready for review December 3, 2024 01:44
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Dec 3, 2024
@mohanchen mohanchen merged commit 3b1fa6e into deepmodeling:develop Dec 3, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
@A-006 @pre-commit-ci-lite @Fisherd99
Refactor:Remove GlobalC::ucell in module_pwdft (deepmodeling#5658)
02968f0 
* change ucell in pwdft/force.cpp

* change ucell in kernels/*.h

* change ucell in pwdft/stress_func_ewa.cpp

* change ucell in pwdft/stress_func_gga.cpp

* change ucell in pwdft/stress_func_har.cpp

* change ucell in pwdft/stress_func_mgga.cpp

* change ucell in pwdft/stress_func_loc.cpp

* change ucell in pwdft/VL_in_pw.cpp

* change ucell in pwdft/VL_grad_pw.cpp

* change ucell in pwdft/VNL_in_pw.cpp

* change ucell in sto_iter.cpp

* fix bug in sto_iter.cpp

* [pre-commit.ci lite] apply automatic fixes

* change ucell in halmit_pw

* change ucell in the test

* [pre-commit.ci lite] apply automatic fixes

* change postion of ucell

* change postion of ucell in hsolver_pw_sdft

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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@A-006 @mohanchen