- 25 Aug, 2009 1 commit
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Peter Eastman authored
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- 24 Aug, 2009 2 commits
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Christopher Bruns authored
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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 5 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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Peter Eastman authored
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Mark Friedrichs authored
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- 19 Aug, 2009 6 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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Peter Eastman authored
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Michael Sherman authored
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Christopher Bruns authored
Created #define for LOCAL_HACK_PI to sidestep bug on Windows cuda compiler which ignores "static const float ..." variables. In files kCalculateCDLJEwaldFastReciprocal.h, kCalculateCDLJForces.h and kCalculateLocalForces.cu.
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Mark Friedrichs authored
The differences in the Ewald energies between the Reference and Cuda platforms were traced to roundoff error in the computation of the Vdw and Coulomb ixns for the short-range energy contribution (verified using double precision in the sum); the vdw and Coulomb terms are now accumulated separately and then added to the total energy
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- 18 Aug, 2009 1 commit
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Peter Eastman authored
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- 17 Aug, 2009 1 commit
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Peter Eastman authored
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- 15 Aug, 2009 1 commit
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Mark Friedrichs authored
In Ewald SR portion of code, the LJ contribution to dEdR was missing a factor of (inverseR*inverseR)
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- 14 Aug, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 12 Aug, 2009 4 commits
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Peter Eastman authored
Lots of new optimizations in ParsedExpression.optimize(). Also optimized CUDA evaluation of expressions.
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Peter Eastman authored
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Peter Eastman authored
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Mark Friedrichs authored
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- 11 Aug, 2009 4 commits
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Peter Eastman authored
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Peter Eastman authored
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Mark Friedrichs authored
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Peter Eastman authored
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- 10 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 3 commits
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Peter Eastman authored
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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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Peter Eastman authored
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- 06 Aug, 2009 2 commits
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Pall Szilard authored
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Peter Eastman authored
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- 03 Aug, 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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