Skip to content

Conversation

@sunliang98
Copy link
Collaborator

Reminder

  • 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 #...

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
14 checks passed
@sunliang98 sunliang98 deleted the output branch July 1, 2025 02:23
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants