"devtools/packaging/scripts/vscode:/vscode.git/clone" did not exist on "69abec48cd54a4896787bb664fc9390368b08634"
- 18 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 1 commit
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Peter Eastman authored
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- 11 Aug, 2009 1 commit
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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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Pall Szilard 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 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 29 Jul, 2009 1 commit
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Peter Eastman authored
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- 17 Jul, 2009 2 commits
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Peter Eastman authored
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Rossen Apostolov authored
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- 16 Jul, 2009 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 10 Jul, 2009 2 commits
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Peter Eastman authored
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Michael Sherman authored
Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h up to start of LJ file -- it wouldn't compile when included locally due to attempt to match extern binding with anonymous struct type.
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- 08 Jul, 2009 1 commit
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Peter Eastman authored
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- 07 Jul, 2009 4 commits
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Rossen Apostolov authored
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Rossen Apostolov authored
No commit message
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Rossen Apostolov authored
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Rossen Apostolov authored
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- 02 Jul, 2009 1 commit
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Peter Eastman authored
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- 30 Jun, 2009 1 commit
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Peter Eastman authored
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- 25 Jun, 2009 2 commits
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Peter Eastman authored
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Michael Sherman authored
- MingW, where "WIN32" is set by CMake but the compiler is not Microsoft's (should use _MSC_VER) in that case, and - in gcc 4.4 which is fussy about some issues that earlier versions were silent about, such as passing a string constant to a "char*" rather than a "const char*". I also fixed a syntax error in CMakeLists that showed up in the OpenMM workshop for some unknown reason. Brook is not currently building correctly; I think it has not yet been fully converted to the getTime() interface needed for variable step integrators.
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- 23 Jun, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 17 Jun, 2009 1 commit
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Michael Sherman authored
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- 12 Jun, 2009 1 commit
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Peter Eastman authored
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- 11 Jun, 2009 1 commit
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Peter Eastman authored
Optimization to constraint algorithm: skip the last iteration as soon as we see that all constraints have converged.
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- 03 Jun, 2009 1 commit
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Peter Eastman authored
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- 21 May, 2009 1 commit
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Peter Eastman authored
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- 20 May, 2009 1 commit
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Peter Eastman authored
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- 15 May, 2009 1 commit
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Rossen Apostolov authored
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- 14 May, 2009 1 commit
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Michael Sherman authored
Eliminate some VC++ build problems via the usual expedient of explicit casts from unsigned to signed and from double to float. TNT Arrays apparently can't be indexed with unsigned because VC++ finds something ambiguous then above their operator[] methods.
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- 13 May, 2009 1 commit
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Peter Eastman authored
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- 12 May, 2009 1 commit
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Michael Sherman authored
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- 06 May, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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