- 25 Jun, 2009 1 commit
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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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- 24 Jun, 2009 1 commit
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Peter Eastman authored
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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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- 19 Jun, 2009 1 commit
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Mark Friedrichs authored
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- 18 Jun, 2009 3 commits
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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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- 17 Jun, 2009 1 commit
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Michael Sherman authored
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- 16 Jun, 2009 2 commits
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Peter Eastman authored
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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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- 11 Jun, 2009 2 commits
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Peter Eastman authored
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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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- 04 Jun, 2009 1 commit
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Peter Eastman authored
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- 03 Jun, 2009 1 commit
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Peter Eastman authored
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- 22 May, 2009 1 commit
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Rossen Apostolov authored
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- 21 May, 2009 2 commits
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Peter Eastman authored
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Rossen Apostolov authored
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- 20 May, 2009 1 commit
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Peter Eastman authored
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- 19 May, 2009 1 commit
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Rossen Apostolov authored
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- 16 May, 2009 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
License header changes; force duplication factor to 4; fixed potential problem w/ Shake -- if no constraints, pgm crashes
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- 15 May, 2009 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Rossen Apostolov authored
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- 14 May, 2009 3 commits
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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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Christopher Bruns authored
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Peter Eastman authored
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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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- 04 May, 2009 1 commit
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Michael Sherman authored
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- 01 May, 2009 3 commits
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Peter Eastman authored
Added Platform::getDefaultPluginDirectory(). Plugins are now installed into .../openmm/lib/plugins.
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Peter Eastman authored
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Peter Eastman authored
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- 24 Apr, 2009 1 commit
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Peter Eastman authored
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- 23 Apr, 2009 1 commit
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Peter Eastman authored
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