- 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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- 05 Feb, 2010 1 commit
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Peter Eastman authored
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- 03 Feb, 2010 1 commit
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Peter Eastman authored
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- 02 Feb, 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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- 28 Jan, 2010 1 commit
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Peter Eastman authored
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- 19 Jan, 2010 1 commit
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Michael Sherman authored
Chris begged me to check this in, so this adds the missing OPENMM_EXPORT to the Cuda platform's registerPlatforms method.
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- 13 Jan, 2010 2 commits
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Peter Eastman authored
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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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- 06 Jan, 2010 1 commit
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Peter Eastman authored
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- 05 Jan, 2010 1 commit
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Peter Eastman authored
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- 15 Dec, 2009 1 commit
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Peter Eastman 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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- 09 Dec, 2009 1 commit
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Peter Eastman authored
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- 01 Dec, 2009 1 commit
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Peter Eastman authored
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- 25 Nov, 2009 1 commit
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Peter Eastman authored
Added a version of Platform::getPlatform() that looks up platforms by name. Added a Context constructor that allows platform-specific properties to be specified.
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- 19 Nov, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 18 Nov, 2009 6 commits
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Mark Friedrichs authored
Mods to get Free energy plugin libs to compile on Windows; still problem w/ kCalculateLocalSoftcoreForces.cu and hence OpenMMFreeEnergyCuda lib
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Peter Eastman authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 17 Nov, 2009 2 commits
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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 4 commits
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Peter Eastman authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
replaced w/ the "KISS" (Keep It Simple Stupid) random number generator implemented in rng.h & rng.cpp
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- 11 Nov, 2009 1 commit
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Mark Friedrichs authored
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- 10 Nov, 2009 1 commit
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Peter Eastman authored
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- 05 Nov, 2009 1 commit
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Mark Friedrichs authored
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- 03 Nov, 2009 6 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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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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