- 02 Jan, 2016 4 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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John Chodera (MSKCC) authored
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- 01 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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- 12 Dec, 2015 1 commit
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Robert T. McGibbon authored
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- 20 Nov, 2015 1 commit
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Jason Swails authored
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- 07 Nov, 2015 1 commit
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Peter Eastman authored
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- 06 Nov, 2015 1 commit
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Peter Eastman authored
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- 03 Nov, 2015 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 30 Oct, 2015 1 commit
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Robert McGibbon authored
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- 27 Oct, 2015 1 commit
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Robert McGibbon authored
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- 26 Oct, 2015 8 commits
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Robert McGibbon authored
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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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John Chodera (MSKCC) authored
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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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- 09 Oct, 2015 2 commits
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peastman authored
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Jason Swails authored
Add relevant tests (that used to fail). This also fixes a subtle bug where switching functions were not applied when NBFIXes were specified.
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- 07 Oct, 2015 2 commits
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M J Harvey authored
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M J Harvey authored
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- 06 Oct, 2015 1 commit
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peastman authored
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- 01 Oct, 2015 1 commit
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Jason Swails authored
Now that I have my head on straight, that is.
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- 29 Sep, 2015 11 commits
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
and DrudeLangevinIntegrator.
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Jason Swails authored
and VariableLangevinIntegrator
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Jason Swails authored
right). Add a test for AmoebaMultipoleForce.
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Jason Swails authored
- Remove API change for AmoebaAngleForce so it goes back to only taking degrees. Handle conversion via a pythonprepend (since stripUnits is done in C++ now). - Do the same thing for TorsionTorsionForce, since angles are in degrees again - Add AmoebaVdwForce and AmoebaWcaForce tests
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Jason Swails authored
work for the input variable type.
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
cubic/quartic/pentic/etc. terms are NOT working for some reason.
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Jason Swails authored
expansion coefficients.
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