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@dyzheng dyzheng commented Nov 8, 2024

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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

this error reported by @WHUweiqingzhou , but I can't repeat it, this PR can solve the segmentation fault.
Fix #5438

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Any changes of core modules? (ignore if not applicable)

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@WHUweiqingzhou WHUweiqingzhou left a comment

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LGTM.

@WHUweiqingzhou WHUweiqingzhou merged commit 2d3bf57 into deepmodeling:develop Nov 8, 2024
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@mohanchen mohanchen added the Bugs Bugs that only solvable with sufficient knowledge of DFT label Nov 13, 2024
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…5439)

* Fix: potential segmentation fault in DFTU force&stress

* [pre-commit.ci lite] apply automatic fixes

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Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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Bug: DFTU calculation cannot finish normally

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