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

Add missing molecule field to cclib TaskDocument #353

Merged
merged 4 commits into from
May 23, 2023
Merged

Add missing molecule field to cclib TaskDocument #353

merged 4 commits into from
May 23, 2023

Conversation

Andrew-S-Rosen
Copy link
Member

Closes #342.

This is a copy of the now-closed #343 because I accidentally deleted the branch...

@Andrew-S-Rosen
Copy link
Member Author

Andrew-S-Rosen commented May 23, 2023 •
edited

@utf --- I have no clue why the test_phonon is failing now. It was passing just fine with the same changes back in #343 before I recreated the branch. Maybe due to recent dependency updates? Unclear to me...

@utf
Copy link
Member

utf commented May 23, 2023

Thanks!

@utf utf merged commit 236d471 into materialsproject:main May 23, 2023
11 of 14 checks passed
@Andrew-S-Rosen Andrew-S-Rosen deleted the molecule branch May 23, 2023 17:23
@utf utf mentioned this pull request Aug 14, 2023
Closed
@utf utf added the enhancement Improvements to existing features label Sep 1, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
enhancement Improvements to existing features
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

BUG: cclib TaskDocument is missing molecule field
2 participants
@Andrew-S-Rosen @utf