- 22 Mar, 2010 1 commit
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Scott Le Grand authored
No commit message
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- 19 Mar, 2010 1 commit
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Mark Friedrichs authored
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- 23 Feb, 2010 1 commit
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Peter Eastman authored
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- 10 Feb, 2010 2 commits
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Christopher Bruns authored
Turn default to ON for nightly building Cuda FreeEnergy plugin, since it is desired for pyopenmm release.
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Peter Eastman authored
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- 09 Feb, 2010 1 commit
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Mark Friedrichs authored
Accumulation of Born force was incorrect in USE_OUTPUT_BUFFER_PER_WARP block w/ cell coordinates x != y
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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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- 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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- 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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- 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 2 commits
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Peter Eastman 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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- 03 Nov, 2009 7 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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Peter Eastman authored
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