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.

Sign up for GitHub

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

Jump to bottom

Refactor: redesign the constructor and member variables of davsubspace class #4330

Merged
merged 8 commits into from
Jun 8, 2024
Merged

Refactor: redesign the constructor and member variables of davsubspace class #4330

merged 8 commits into from
Jun 8, 2024

Conversation

haozhihan
Copy link
Collaborator

Reminder

  • Have you linked an issue with this pull request?

Linked Issue

#4241

Details

  • Redesigned the constructor and member variables of davsubspace class.
  • The calling method of classes related diago has been modified. These class is declared for each k point for calculation, instead of one for each SCF.
  • Strictly design whether each variable in this class should be const. (n_band, dim, nbase_x)

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jun 8, 2024
@mohanchen mohanchen merged commit 824d71a into deepmodeling:develop Jun 8, 2024
13 checks passed
@haozhihan haozhihan deleted the Refactor/refactor_dav_subspace branch June 11, 2024 07:54
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@mohanchen mohanchen mohanchen approved these changes

Assignees
No one assigned
Labels
The Absolute Zero Reduce the "entropy" of the code to 0
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
2 participants
@haozhihan @mohanchen