Skip to content

Refactor: move init_mixing to before_scf #6147

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Closed
wants to merge 1 commit into from

Conversation

YuLiu98
Copy link
Collaborator

@YuLiu98 YuLiu98 commented Apr 13, 2025

What's changed?

  • move init_mixing to before_scf

@YuLiu98 YuLiu98 requested a review from mohanchen April 13, 2025 01:57
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Apr 15, 2025
@mohanchen
Copy link
Collaborator

Since EXX has more than 1 iter==1 in SCF loop, I will reconsider how to deal with this code.

@mohanchen mohanchen closed this Apr 17, 2025
@YuLiu98 YuLiu98 deleted the refactor branch April 17, 2025 09:37
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
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