Rosa Bulo (REB) SCMSUITE-- SO107: Fixed bug mdanalysis recipes#362
Merged
Rosa Bulo (REB) SCMSUITE-- SO107: Fixed bug mdanalysis recipes#362
Conversation
Contributor
rebadam
commented
Feb 20, 2026
rebadam
commented
- Fixed bug in AMSConvenientAnalysisJob classes introduced when made compatible with pisa
- atom_indices passed as arguments were no longer used
- AMSRDFJob failed always
- Added tests for AMSConvenientAnalysisJob classes
- Added tests for VACF and Viscosity jobs
- Fixed bug in AMSConvenientAnalysisJob classes introduced when made compatible with pisa * atom_indices passed as arguments were no longer used * AMSRDFJob failed always - Added tests for AMSConvenientAnalysisJob classes - Added tests for VACF and Viscosity jobs
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
1 participant
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.