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Commits
: Listings
Analyzed
12 months
ago. based on code collected
over 4 years
ago.
Aug 25, 2020 — Sep 24, 2020
Showing page 6 of 97
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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.
Christopher Woods
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almost 2 years ago
Enable use of file caching with Process.Namd.
Lester Hedges
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almost 2 years ago
Enable use of file caching with Process.Somd.
Lester Hedges
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almost 2 years ago
Enable use of file caching with Process.OpenMM.
Lester Hedges
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almost 2 years ago
Add missing sire.legacy.IO import.
Lester Hedges
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almost 2 years ago
Enable use of file caching with Process.Gromacs.
Lester Hedges
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almost 2 years ago
Enable use of file caching with Process.Amber.
Lester Hedges
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almost 2 years ago
Fix race condition and typo.
Lester Hedges
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almost 2 years ago
Add basic file caching to avoid re-writing files (for a session).
Lester Hedges
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almost 2 years ago
Updating website.
BioSimSpaceBot
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almost 2 years ago
Merge remote-tracking branch 'michellab/devel' into feature_merge_sire_2023
Miroslav Suruzhon
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almost 2 years ago
Merge branch 'devel' into feature-2023_1
Lester Hedges
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almost 2 years ago
Merge pull request #408 from michellab/feature-2023_0
Lester Hedges
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almost 2 years ago
Blacked new playground contributions. [ci skip]
Lester Hedges
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almost 2 years ago
Make directory naming consistent.
Lester Hedges
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almost 2 years ago
Deprecate BSS.IO.glob.
Lester Hedges
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almost 2 years ago
Update tests to use remote files.
Lester Hedges
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almost 2 years ago
Handle remote PDB files in readPDB.
Lester Hedges
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almost 2 years ago
More updates to handle new Sire loading correctly.
Lester Hedges
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almost 2 years ago
Don't use spaces in system name.
Lester Hedges
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almost 2 years ago
Wrap the new sire.io.load function.
Lester Hedges
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almost 2 years ago
Fix landing page heading.
Lester Hedges
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almost 2 years ago
Added a tutorialUrl function.
Lester Hedges
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almost 2 years ago
added examples of nodes for pre/equilibration of a protein-ligand complex
jmichel80
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almost 2 years ago
Fix title underline.
Lester Hedges
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almost 2 years ago
Remove old media page.
Lester Hedges
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almost 2 years ago
Add consistent support and code of conduct pages.
Lester Hedges
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almost 2 years ago
Update to the OpenBioSim website theme.
Lester Hedges
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almost 2 years ago
Remove website build from CI.
Lester Hedges
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almost 2 years ago
New sire
Miroslav Suruzhon
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almost 2 years ago
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