- 06 May, 2010 1 commit
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Mark Friedrichs authored
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- 05 May, 2010 1 commit
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Mark Friedrichs authored
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- 20 Apr, 2010 1 commit
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Christopher Bruns authored
Including installing Test<Platform>HarmonicBondForce tests.
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- 14 Apr, 2010 1 commit
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Christopher Bruns authored
based on the FindCUDA.cmake that was in the platforms/cuda/cuda-make directory. Setting of CUDA_NVCC_FLAGS is now in top-level CMakeLists.txt, in case I ever figure out how to get this working with the cmake 2.8 installed system version of FindCUDA.cmake. Before this change, there were three separate FindCUDA.cmake areas. Now there is just one.
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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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- 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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