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@A-006 A-006 commented Dec 13, 2024

Unit Tests and/or Case Tests for my changes

  • fix bug in the unit test of the module_elecstate.

What's changed?

  • Remove GlobalC::ucell in the module_elecstate.
  • remove file in the module_elecstate/elecstate_getters.cpp

@A-006 A-006 marked this pull request as draft December 16, 2024 01:56
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Dec 16, 2024
@A-006 A-006 marked this pull request as ready for review December 16, 2024 07:47
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Good job.

@mohanchen mohanchen merged commit 815bff5 into deepmodeling:develop Dec 16, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* change ucell in elecstate_energy

* fix bug in elesctate_energy

* change ucell in set-rho_core

* change ucell in elecstate.cpp

* change ucell in charge_mixing

* change ucell in prepare in H_TDDFT_pw.cpp

* change ucell in set_nonlocal.cpp

* change ucell in ucell_getters.cpp

* change elecstate_getter

* change PARAM.inp.vdw_method in the elecstate_print

* change ucell in charge_mixing

* change get ucell tpiba in getters

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

* change ucell test file

* update value of omega and tpiba in charge_mixing

* update get ucell oemga

* change ucell in the charge

* fix bug in charge

* fix bug in set_omega

---------

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