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  • 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 #5535

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 merged commit c650aa8 into deepmodeling:develop Nov 21, 2024
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@mohanchen mohanchen added the Input&Output Suitable for coders without knowing too many DFT details label Nov 21, 2024
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…examples/bsse/water (deepmodeling#5536)

Co-authored-by: root <pxlxingliang>
Co-authored-by: kirk0830 <67682086+kirk0830@users.noreply.github.com>
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Examples test failed at 20241120

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