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

Fix: nupdown = 0 for spin-unpolarized calculation #5305

Merged
merged 1 commit into from
Oct 18, 2024
Merged

Fix: nupdown = 0 for spin-unpolarized calculation #5305

merged 1 commit into from
Oct 18, 2024

Conversation

jinzx10
Copy link
Collaborator

@jinzx10 jinzx10 commented Oct 18, 2024

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 #5297

@mohanchen mohanchen added the Bugs Bugs that only solvable with sufficient knowledge of DFT label Oct 18, 2024
@mohanchen mohanchen merged commit 5ccb292 into deepmodeling:develop Oct 18, 2024
14 checks passed
@jinzx10 jinzx10 deleted the issue_5297 branch October 18, 2024 14:13
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
Bugs Bugs that only solvable with sufficient knowledge of DFT
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

Bug: nupdown 0 can cause calculation failure for nspin 1 case
2 participants
@jinzx10 @mohanchen