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Fix: get_wf with nspin=4 #3302

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merged 2 commits into from
Dec 7, 2023
Merged

Fix: get_wf with nspin=4 #3302

merged 2 commits into from
Dec 7, 2023

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dyzheng
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@dyzheng dyzheng commented Dec 5, 2023

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  • Have you linked an issue with this 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 #3241

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  • 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 ...

@dyzheng dyzheng mentioned this pull request Dec 5, 2023
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WHUweiqingzhou
WHUweiqingzhou approved these changes Dec 7, 2023
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Thanks for your effort!

@dyzheng dyzheng merged commit 5b4aa39 into deepmodeling:develop Dec 7, 2023
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@WHUweiqingzhou WHUweiqingzhou WHUweiqingzhou approved these changes

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Successfully merging this pull request may close these issues.

Wrong real space wavefunction output in LCAO SOC calculation
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@dyzheng @WHUweiqingzhou @hongriTianqi