- 06 Jan, 2010 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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- 18 Nov, 2009 1 commit
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Peter Eastman 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 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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- 03 Nov, 2009 1 commit
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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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- 22 Sep, 2009 1 commit
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Peter Eastman authored
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- 19 Sep, 2009 1 commit
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Peter Eastman authored
Restructured how force and energy computations are done to make it easier to write plugins for the CUDA platform
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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- 11 Sep, 2009 1 commit
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Peter Eastman authored
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- 10 Sep, 2009 1 commit
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Peter Eastman authored
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- 08 Sep, 2009 1 commit
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Peter Eastman authored
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- 28 Aug, 2009 1 commit
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Peter Eastman authored
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- 27 Aug, 2009 1 commit
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Peter Eastman authored
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- 24 Aug, 2009 1 commit
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Christopher Bruns authored
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- 21 Aug, 2009 1 commit
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Peter Eastman authored
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- 11 Aug, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 08 Aug, 2009 1 commit
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Peter Eastman authored
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- 07 Aug, 2009 1 commit
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Kai Kohlhoff authored
All energies existing in Preview Release 3 now run on the GPU, new Ewald energy terms still use Reference implementation
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- 06 Aug, 2009 1 commit
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Peter Eastman authored
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- 17 Jul, 2009 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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- 10 Jul, 2009 1 commit
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Michael Sherman authored
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- 08 Jul, 2009 1 commit
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Peter Eastman authored
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- 02 Jul, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 26 Jun, 2009 1 commit
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Peter Eastman authored
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- 24 Jun, 2009 1 commit
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Peter Eastman authored
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- 23 Jun, 2009 1 commit
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Peter Eastman authored
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- 18 Jun, 2009 1 commit
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Peter Eastman authored
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- 13 Jun, 2009 1 commit
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Mark Friedrichs authored
In calcForces() kReduceBornSumAndForces kernel is not needed since Born radii/Obc chain term now calculated prior to calculation of forces Modified kCalculateObcGbsaBornSum kernel loop to match that in kCalculateCDLJObcGbsaForces1; Born sums are zero w/o mods
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- 12 Jun, 2009 1 commit
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Peter Eastman authored
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- 04 Jun, 2009 1 commit
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Peter Eastman authored
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