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@A-006 A-006 commented Nov 29, 2024

What's changed?

  • Remove the GlobalC::ucell in lcaodft
  • the module_lcaodft/Force_stress.cpp contains module_elestate,this module will be changed last.
  • The module_lcaodft/LCAO_hamilt.cpp contains the EXX,this file will be changed when the EXX changed.

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Nov 29, 2024
@mohanchen mohanchen merged commit 514160f into deepmodeling:develop Nov 29, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* update ucell in force_gamma/force_k

* change GlobalC::ucell in the force_stress

* change GlobalC::ucell in the grid_init.cpp

* update ucell in hamilt_lcao

* update ucell in LCAO_alloacte

* update ucell in record_adj

* update ucell in spra_dh.cpp

* update ucell in wavefunc_in_pw

* fix bug in wavefunc

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

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