- 30 Mar, 2010 1 commit
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Peter Eastman authored
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- 12 Mar, 2010 1 commit
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Mark Friedrichs authored
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- 04 Mar, 2010 1 commit
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Peter Eastman authored
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- 19 Feb, 2010 2 commits
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Christopher Bruns authored
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Christopher Bruns authored
So far tested only on GPU-having windows machine.
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- 11 Feb, 2010 1 commit
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Peter Eastman authored
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- 10 Feb, 2010 1 commit
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Peter Eastman authored
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- 08 Feb, 2010 1 commit
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Christopher Bruns authored
Exported some symbols from Cuda plugin, for use by external NML plugin. cudaOpenMMInitializeIntegration, gpuSetConstants, CudaPlatform (but I couldn't figure out how to export kGenerateRandoms) Also turned off TestRandomCuda on Windows, since it always fails and makes the dashboard look bad. Renamed InitializeIntegration method to cudaOpenMMInitializeIntegration, now that symbol is being exported.
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- 06 Feb, 2010 1 commit
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Peter Eastman authored
Increased the tolerance on two tests that started failing when we switched the reference platform to double precision
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- 04 Feb, 2010 1 commit
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Mark Friedrichs authored
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- 02 Feb, 2010 1 commit
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Peter Eastman authored
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- 30 Jan, 2010 1 commit
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Peter Eastman authored
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- 29 Jan, 2010 1 commit
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Peter Eastman authored
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- 14 Jan, 2010 1 commit
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Mark Friedrichs authored
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- 13 Jan, 2010 1 commit
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Peter Eastman authored
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- 12 Jan, 2010 1 commit
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Mark Friedrichs authored
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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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- 18 Nov, 2009 1 commit
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Peter Eastman authored
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- 17 Nov, 2009 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.
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- 12 Nov, 2009 1 commit
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Peter Eastman authored
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- 10 Nov, 2009 1 commit
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Peter Eastman authored
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- 04 Nov, 2009 1 commit
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Mark Friedrichs authored
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- 03 Nov, 2009 3 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
Free energy plugin added Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint Also unit tests for GB/VI currently fail
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- 28 Oct, 2009 1 commit
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Peter Eastman authored
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- 23 Oct, 2009 1 commit
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Peter Eastman authored
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- 08 Oct, 2009 1 commit
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Peter Eastman authored
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- 07 Oct, 2009 1 commit
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Rossen Apostolov authored
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- 30 Sep, 2009 1 commit
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Peter Eastman authored
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- 22 Sep, 2009 1 commit
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Peter Eastman authored
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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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- 25 Aug, 2009 1 commit
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Peter Eastman authored
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- 21 Aug, 2009 2 commits
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Peter Eastman authored
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Mark Friedrichs authored
Check dot product between Reference and Cuda forces Redid output
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- 20 Aug, 2009 1 commit
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Mark Friedrichs authored
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- 19 Aug, 2009 1 commit
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Mark Friedrichs authored
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