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@kirk0830 kirk0830 commented Nov 20, 2024

Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #5541

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

  • Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

Any changes of core modules? (ignore if not applicable)

  • Example: I have added a new virtual function in the esolver base class in order to ...

@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes labels Nov 20, 2024
@mohanchen mohanchen merged commit 20b2214 into develop Nov 20, 2024
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@kirk0830 kirk0830 deleted the kirk0830-patch-1 branch November 20, 2024 16:30
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes

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Bug: out_chg -1 is not supported since PR#5526

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