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@kirk0830 kirk0830 commented Nov 1, 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 #5353

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 ...

@kirk0830 kirk0830 requested a review from maki49 November 1, 2024 10:10
@kirk0830 kirk0830 marked this pull request as draft November 1, 2024 10:54
@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Nov 2, 2024
@kirk0830 kirk0830 marked this pull request as ready for review November 2, 2024 11:59
@mohanchen
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@maki49 seems that you were asked to review the PR

@mohanchen mohanchen merged commit 535c7f9 into deepmodeling:develop Nov 5, 2024
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@kirk0830 kirk0830 deleted the off-nloc-vdw-xc branch November 5, 2024 02:41
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…is required (deepmodeling#5391)

* fix

* special programming for wb97 famiy
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…is required (deepmodeling#5391)

* fix

* special programming for wb97 famiy
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Bug: XCs with nonlocal dispersion correction from libxc now will give wrong results

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