1
I Use This!
Activity Not Available

Commits : Listings

Analyzed 12 months ago. based on code collected over 4 years ago.
Aug 25, 2020 — Sep 24, 2020
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Changed `_k_boltz` to `_k_boltz.value()` to get the underlying value of Boltzmann's constant (in kcal mol-1 K-1) without the associated units. sire 2023.1.0 returns physical constants with their attached units. More... almost 2 years ago
Enable use of file caching with Process.Namd. More... almost 2 years ago
Enable use of file caching with Process.Somd. More... almost 2 years ago
Enable use of file caching with Process.OpenMM. More... almost 2 years ago
Add missing sire.legacy.IO import. More... almost 2 years ago
Enable use of file caching with Process.Gromacs. More... almost 2 years ago
Enable use of file caching with Process.Amber. More... almost 2 years ago
Fix race condition and typo. More... almost 2 years ago
Add basic file caching to avoid re-writing files (for a session). More... almost 2 years ago
Updating website. More... almost 2 years ago
Merge remote-tracking branch 'michellab/devel' into feature_merge_sire_2023 More... almost 2 years ago
Merge branch 'devel' into feature-2023_1 More... almost 2 years ago
Merge pull request #408 from michellab/feature-2023_0 More... almost 2 years ago
Blacked new playground contributions. [ci skip] More... almost 2 years ago
Make directory naming consistent. More... almost 2 years ago
Deprecate BSS.IO.glob. More... almost 2 years ago
Update tests to use remote files. More... almost 2 years ago
Handle remote PDB files in readPDB. More... almost 2 years ago
More updates to handle new Sire loading correctly. More... almost 2 years ago
Don't use spaces in system name. More... almost 2 years ago
Wrap the new sire.io.load function. More... almost 2 years ago
Fix landing page heading. More... almost 2 years ago
Added a tutorialUrl function. More... almost 2 years ago
added examples of nodes for pre/equilibration of a protein-ligand complex More... almost 2 years ago
Fix title underline. More... almost 2 years ago
Remove old media page. More... almost 2 years ago
Add consistent support and code of conduct pages. More... almost 2 years ago
Update to the OpenBioSim website theme. More... almost 2 years ago
Remove website build from CI. More... almost 2 years ago
New sire More... almost 2 years ago