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Analyzed almost 1 year ago. based on code collected over 4 years ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Aug 25, 2020 — Sep 24, 2020 Showing page 13 of 97 Search / Filter on:
Merge pull request #415 from michellab/revert-412-feature_pmefep_2023	Lester Hedges	More...				about 2 years ago
Revert "Support for PME in SOMD FEP"	Lester Hedges	More...				about 2 years ago
Remove debugging statements.	Lester Hedges	More...				about 2 years ago
Updates for the 2023.0.1 release.	Lester Hedges	More...				about 2 years ago
Merge pull request #412 from michellab/feature_pmefep_2023	Lester Hedges	More...				about 2 years ago
Added in the code to set and change internals (e.g. bonds, angles, dihedrals) using a Cursor/Cursors/CursorsM object.	Christopher Woods	More...				about 2 years ago
Build against packages with the 'dev' label.	Lester Hedges	More...				about 2 years ago
Build against packages with the 'dev' label. [ci skip]	Lester Hedges	More...				about 2 years ago
4-pentenyl-glycine-ff	MarieTJ	More...				about 2 years ago
Revert molecule renumbering on replacement, since no longer needed.	Lester Hedges	More...				about 2 years ago
Explored why the number of residues changed for SDF files - found it was a limitation of the file format. Confirmed that only the PDB2 parser currently supports writing partial molecules. This will need fixing later (but is non-urgent).	Christopher Woods	More...				about 2 years ago
Make sure searches are returned in MolIdx order.	Lester Hedges	More...				about 2 years ago
This commit fixes the search ordering bug mentioned in https://github.com/michellab/BioSimSpace/pull/397#issuecomment-1313687131	Christopher Woods	More...				about 2 years ago
Added a unit test for checking that searches preserve input order.	Christopher Woods	More...				about 2 years ago
Update upload-artifact action.	Lester Hedges	More...				about 2 years ago
Update upload artifact action.	Lester Hedges	More...				about 2 years ago
Use new property searching functionality.	Lester Hedges	More...				about 2 years ago
Add the ability to search on whether or not a property exists.	Lester Hedges	More...				about 2 years ago
Fix assignment of list or dictionary to a property.	Lester Hedges	More...				about 2 years ago
Make sure correct URL is used for PRs against forks. [ci skip]	Lester Hedges	More...				about 2 years ago
Only use AmberTools and GROMACS for Linux tests.	Lester Hedges	More...				about 2 years ago
Another missing skipif.	Lester Hedges	More...				about 2 years ago
Exclude AmberTools and GROMACS on Windows.	Lester Hedges	More...				about 2 years ago
Skip test if alchemlyb is missing.	Lester Hedges	More...				about 2 years ago
Fix missing import.	Lester Hedges	More...				about 2 years ago
Don't install alchemlyb for Python < 3.8.	Lester Hedges	More...				about 2 years ago
Fix try_import statement.	Lester Hedges	More...				about 2 years ago
Fix sub-package name.	Lester Hedges	More...				about 2 years ago
Try different syntax.	Lester Hedges	More...				about 2 years ago
Formatting tweaks. [ci skip]	Lester Hedges	More...				about 2 years ago

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