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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 #6250

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 ...

@lanshuyue lanshuyue marked this pull request as ready for review July 8, 2025 17:46
@lanshuyue lanshuyue requested a review from mohanchen July 8, 2025 17:47
@mohanchen mohanchen added Features Needed The features are indeed needed, and developers should have sophisticated knowledge Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Jul 9, 2025
@mohanchen mohanchen merged commit b554f40 into deepmodeling:develop Jul 9, 2025
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Excellent job.

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Bugs Bugs that only solvable with sufficient knowledge of DFT Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes

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NSCF calculation only reports eigenvalues on rank 0 process in the log file

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