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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 #5207

Unit Tests and/or Case Tests for my changes

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

What's changed?

  • Fix the memory leak in integrated test case 919_OF_out_elf.
  • Fix the file name of spin polarised ELF.
  • Add a reference for epsilon defined in write_elf.

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 merged commit c234dd3 into deepmodeling:develop Oct 10, 2024
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@mohanchen mohanchen added the Bugs Bugs that only solvable with sufficient knowledge of DFT label Oct 10, 2024
@sunliang98 sunliang98 deleted the elf branch November 22, 2024 08:29
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Bug: memory leak in integrated test case 919_OF_out_elf

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