Allow using chemfiles structures as input#512
Merged
ceriottm merged 1 commit intolab-cosmo:mainfrom Feb 14, 2026
Merged
Conversation
Collaborator
|
very cool 😁 |
This comment was marked as outdated.
This comment was marked as outdated.
Contributor
Author
|
This is still missing tutorial and docs, but should at least work and be tested! |
Collaborator
sofiia-chorna
left a comment
There was a problem hiding this comment.
i like a lot the code, it is so clean and readable! i left some questions:
sofiia-chorna
approved these changes
Feb 13, 2026
This file contains hidden or 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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
The plot in #506 pushed me over the edge to implement this =)
Do not merge yet, I need to add a tutorial/docs/tests/…