- 23 Feb, 2017 1 commit
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peastman authored
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- 21 Feb, 2017 2 commits
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Andy Simmonett authored
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Andy Simmonett authored
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- 20 Feb, 2017 2 commits
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Andy Simmonett authored
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Andy Simmonett authored
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- 08 Feb, 2017 1 commit
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Peter Eastman authored
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- 03 Feb, 2017 1 commit
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Peter Eastman authored
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- 26 Jan, 2017 1 commit
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Peter Eastman authored
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- 19 Jan, 2017 1 commit
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Andy Simmonett authored
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- 19 Dec, 2016 2 commits
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 18 Nov, 2016 2 commits
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 23 Sep, 2015 1 commit
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Peter Eastman authored
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- 08 Jan, 2015 1 commit
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Peter Eastman authored
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- 10 Dec, 2014 1 commit
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peastman authored
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- 30 Oct, 2013 1 commit
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peastman authored
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- 17 Oct, 2013 1 commit
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peastman authored
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- 09 Oct, 2013 1 commit
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peastman authored
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- 08 Jul, 2013 1 commit
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peastman authored
Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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- 04 May, 2013 1 commit
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Peter Eastman authored
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 31 May, 2012 1 commit
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Peter Eastman authored
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- 31 Jan, 2012 1 commit
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Peter Eastman authored
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- 21 Jun, 2010 1 commit
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Peter Eastman authored
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- 18 Jun, 2010 1 commit
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Peter Eastman authored
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- 07 May, 2010 1 commit
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Peter Eastman authored
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- 01 Apr, 2010 1 commit
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Peter Eastman authored
All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions). Also started OpenCL implementation of CustomHbondForce.
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- 11 Dec, 2009 1 commit
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Peter Eastman authored
Use a consistent (and more accurate) value for electric constant everywhere. Also cleaned up handling of constants and units in various places.
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- 21 Sep, 2009 1 commit
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Rossen Apostolov authored
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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- 12 Aug, 2009 1 commit
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Mark Friedrichs authored
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- 14 Jul, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 2 commits
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Peter Eastman authored
Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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Peter Eastman authored
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- 22 Oct, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 21 Oct, 2008 1 commit
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Peter Eastman authored
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