- 14 Jan, 2016 4 commits
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Peter Eastman authored
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peastman authored
AMOEBA extrapolated polarization
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Peter Eastman authored
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Peter Eastman authored
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- 13 Jan, 2016 1 commit
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Peter Eastman authored
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- 12 Jan, 2016 2 commits
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Peter Eastman authored
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peastman authored
More acos protections in Amoeba
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- 11 Jan, 2016 3 commits
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peastman authored
Remove Jenkins badges from README.md
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Jason Swails authored
errors.
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Jason Swails authored
This copies the fix for the AmoebaTorsionTorsionForce over to the other two forces that calculate angles via the inverse cosine -- specifically the in-plane angle force and the stretch-bend force. The TorsionTorsion fix did not completely solve the occasional simulation blowup, although it did make it a *lot* less frequent (it went from happening within 5 minutes to happening ~once per day).
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- 10 Jan, 2016 2 commits
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Robert T. McGibbon authored
Fix push of dev user and developer guide HTMLs to S3
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John Chodera (MSKCC) authored
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- 09 Jan, 2016 9 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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Robert T. McGibbon authored
Also build the HTML user guide in travis
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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Robert T. McGibbon authored
Document how to turn on API docs building
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John Chodera (MSKCC) authored
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Peter Eastman authored
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- 07 Jan, 2016 6 commits
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Peter Eastman authored
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peastman authored
Add hooks for parameterizing unmatched residues in ForceField
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peastman authored
AmoebaTorsionTorsionForce avoids singularity in acos()
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Peter Eastman authored
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Peter Eastman authored
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peastman authored
Fix testInstallation, and simplify the error handling
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- 06 Jan, 2016 3 commits
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Robert McGibbon authored
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peastman authored
Fix ambiguous overloaded function in Visual Studio 2015
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Robert McGibbon authored
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- 05 Jan, 2016 3 commits
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Peter Eastman authored
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peastman authored
Python 3 does not have dict.itervalues
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Jason Swails authored
Really we should move to using six and importing the iterator versions of dict methods and range/zip from there, but for now just use "values" since using a raw list doesn't seem like it will cause memory or performance problems here.
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- 04 Jan, 2016 4 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
Conflicts: .travis.yml
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peastman authored
Rewrite run-ctest.py
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Robert T. McGibbon authored
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- 03 Jan, 2016 3 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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