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Test: Update the parameter and reference results of 23_OF_LPS#6774

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mohanchen merged 2 commits intodeepmodeling:developfrom
sunliang98:fix_of_test
Dec 12, 2025
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Test: Update the parameter and reference results of 23_OF_LPS#6774
mohanchen merged 2 commits intodeepmodeling:developfrom
sunliang98:fix_of_test

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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)

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Fix #...

Unit Tests and/or Case Tests for my changes

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

What's changed?

The integration test 23_OF_LPS failed on AVX 512 enabled compute nodes due to minor floating point variations between instruction sets. We resolved this by tightening the convergence criteria, increasing scf thr from 2e-6 to 2e-10, which eliminates hardware dependent numerical differences. The relevant reference outputs have been updated accordingly.

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 ...

@sunliang98 sunliang98 requested a review from mohanchen December 11, 2025 16:20
@mohanchen mohanchen added Refactor Refactor ABACUS codes Unit Tests/Integreate Tests Issues/PR related to unit tests and integrate tests labels Dec 12, 2025
@mohanchen mohanchen merged commit feb1268 into deepmodeling:develop Dec 12, 2025
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@sunliang98 sunliang98 deleted the fix_of_test branch December 12, 2025 13:29
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