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Refactor: Standardize OFDFT screen output to match KSDFT format #6249

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Merged
merged 2 commits into from
May 31, 2025
Merged

Refactor: Standardize OFDFT screen output to match KSDFT format #6249

merged 2 commits into from
May 31, 2025

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sunliang98
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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?

  • Standardize OFDFT screen output to match KSDFT format
    • Before:
      image
    • Now:
      image
    • KSDFT:
      image
  • Move iter_time from ESolver_KS to ESolver_FP.

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 Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0 labels May 31, 2025
@mohanchen mohanchen merged commit 59483e3 into deepmodeling:develop May 31, 2025
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kluophysics pushed a commit to kluophysics/abacus-develop that referenced this pull request Jun 5, 2025
@sunliang98 @kluophysics
Refactor: Standardize OFDFT screen output to match KSDFT format (deep…
1a514f7 
…modeling#6249)

* Refactor: Standardize OFDFT screen output to match KSDFT format

* Fix: Fix the compile error
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@mohanchen mohanchen mohanchen approved these changes

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