- 11 Nov, 2016 4 commits
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
- Make Python 2.7 a minimum requirement per pandegroup/openmm#1656 - Make the bond classes as well as other forcefield.py singletons inherit from Singleton to make them pickleable - Make class Bond inherit from namedtuple instead of tuple
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Jason Swails authored
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- 10 Nov, 2016 2 commits
- 09 Nov, 2016 4 commits
- 08 Nov, 2016 1 commit
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peastman authored
Fixed bug in switching functions with CustomNonbondedForce
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- 07 Nov, 2016 1 commit
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Peter Eastman authored
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- 28 Oct, 2016 2 commits
- 25 Oct, 2016 1 commit
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peastman authored
Handle singular matrix in DIIS
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- 24 Oct, 2016 2 commits
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Peter Eastman authored
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peastman authored
Support multipoles with polarization set to 0
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- 20 Oct, 2016 3 commits
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Peter Eastman authored
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peastman authored
Fixed errors with multipoles set to ZOnly mode
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Peter Eastman authored
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- 18 Oct, 2016 9 commits
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peastman authored
Fixed bug computing neighbor list
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Peter Eastman authored
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Peter Eastman authored
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peastman authored
Solve DIIS matrix on GPU
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peastman authored
Change variable 'q' to 'charge' in custom gb models
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Peter Eastman authored
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peastman authored
Update docstrings to specify units and domain for torsions
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 17 Oct, 2016 4 commits
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Peter Eastman authored
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jchodera authored
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peastman authored
Fix precision issue in MTSIntegrator
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jchodera authored
Update docstrings of CustomCompoundBondForce and CustomTorsionForce to specify units and domain of torsion
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- 15 Oct, 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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- 14 Oct, 2016 1 commit
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peastman authored
Fine grained pair list of nonbonded interactions
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- 13 Oct, 2016 3 commits