Fixed Failing Abinit tests bis #1108
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
…-commit-autoupdate Auto-update pre-commit hooks
pull trunk main
pull turnk main
pull trunk main
JaGeo
approved these changes
Jan 23, 2025
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Summary
As discussed first in #1095 and then in #1106, the ABINIT tests broke due to changes in scipy codata values.
check_poscarfor this use case and used it in a new check based on the ABINIT structure variables.I also copied the fix with the tolerance in the aims tests as implemented in #1106 for an all-in-one PR.