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] Change spglib tolerance from 1e-4 to 1e-6 #814

Merged
merged 1 commit into from
Jan 31, 2023
Merged

[fix] Change spglib tolerance from 1e-4 to 1e-6 #814

merged 1 commit into from
Jan 31, 2023

Conversation

toxa81
Copy link
Collaborator

@toxa81 toxa81 commented Jan 30, 2023

Use smaller value of tolerance parameter to detect symmetries of crystall and lattice.

@toxa81 toxa81 added the fix label Jan 30, 2023
@toxa81 toxa81 self-assigned this Jan 30, 2023
@toxa81
Copy link
Collaborator Author

toxa81 commented Jan 30, 2023

@mtaillefumier let's check this one and then I can make a new release.

@toxa81
Copy link
Collaborator Author

toxa81 commented Jan 30, 2023

cscs-ci run default

@toxa81 toxa81 marked this pull request as ready for review January 31, 2023 13:07
mtaillefumier
mtaillefumier approved these changes Jan 31, 2023
View reviewed changes
Copy link
Collaborator

@mtaillefumier mtaillefumier left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

good to go. It is probably the best approach we can find without fixing spglib

@mtaillefumier mtaillefumier merged commit c45f038 into develop Jan 31, 2023
@toxa81 toxa81 deleted the fix/adjust-spglib-tolerance branch April 25, 2023 22:51
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@mtaillefumier mtaillefumier mtaillefumier approved these changes

Assignees

@toxa81 toxa81

Labels
fix
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

None yet
2 participants
@toxa81 @mtaillefumier