Skip to content
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

Refactor: add XC_Functional::get_ked_flag() #5879

Merged
merged 7 commits into from
Jan 24, 2025

Conversation

YuLiu98
Copy link
Collaborator

@YuLiu98 YuLiu98 commented Jan 23, 2025

What's changed?

  • add XC_Functional::get_ked_flag() to represent that kinetic energy density is needed in XC.

@YuLiu98 YuLiu98 requested a review from mohanchen January 23, 2025 13:46
@mohanchen mohanchen merged commit 46797ad into deepmodeling:develop Jan 24, 2025
14 checks passed
@mohanchen
Copy link
Collaborator

Good job.

@YuLiu98 YuLiu98 changed the title Refactor: add XC_Functional::get_has_kedf() Refactor: add XC_Functional::get_ked_flag() Jan 24, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants