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@dyzheng dyzheng commented Dec 9, 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

The implementation of DFT+U feature in PW base, only for NSPIN=4 now, there are still work to do with this feature.

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 Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes labels Dec 10, 2024
@mohanchen mohanchen merged commit c9c0189 into deepmodeling:develop Dec 11, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…deling#5703)

* Feature: DFT+U for noncollinear spin calculation with PW base

* add test case for DFT+U in PW base

* Fix: bug of cmakelist

* Fix: error in CI

* Fix: GPU error in CI

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Co-authored-by: dyzheng <[email protected]>
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Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes

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