Fix issue #459 #460
Merged
Fix issue #459 #460
Conversation
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
lohedges
added
bug
lohedges
had a problem deploying
to
biosimspace-build
GitHub Actions
Failure
lohedges
temporarily deployed
to
biosimspace-build
GitHub Actions
Inactive
lohedges
temporarily deployed
to
biosimspace-build
GitHub Actions
Inactive
lohedges
temporarily deployed
to
biosimspace-build
GitHub Actions
Inactive
lohedges
temporarily deployed
to
biosimspace-build
GitHub Actions
Inactive
lohedges
added a commit
that referenced
this pull request
Oct 14, 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Outdated suggestions cannot be applied.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.
This PR closes #459 by fixing a conditional that incorrectly skipped trajectory frame reconstruction for systems containing perturbable molecules.
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]