- 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 3 commits
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Peter Eastman authored
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Pall Szilard authored
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Peter Eastman authored
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- 03 Aug, 2009 4 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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Peter Eastman authored
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- 31 Jul, 2009 1 commit
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Mark Friedrichs authored
Forced computation of dot product used in computing angles to be done in double precision; acos() is very steep for angles near pi and single precison was giving disagreement w/ corresponding Gromacs values (discrepancies of the order of ~1.0)
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- 30 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
Created CMake script for generating API wrappers. Also updated the wrapper scripts to handle vector<double>.
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- 29 Jul, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 28 Jul, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
Created a CudaPlatform property for specifying whether CUDA should sync or spin loop while waiting for results
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- 27 Jul, 2009 1 commit
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Peter Eastman authored
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- 25 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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- 24 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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