- 19 Nov, 2009 7 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
Christopher Bruns authored
Turn on free energy plugin by default. Better rule for when to default build OpenMM wrappers. Several tweaks to advanced vs. non-advanced cmake variables.
-
Christopher Bruns authored
So nightly builds can build CUDA and API wrappers when prerequisites are present. While still being gentle on third party cmake builders. New cmake_modules directory contains FindCUDA.cmake from cmake 2.8.0, and Find OpenCL.cmake from platforms/OpenCL directory.
-
Mark Friedrichs authored
-
Mark Friedrichs authored
Fixed bug: was calling kReduceObcGbsaSoftcoreBornForces instead of kReduceGBVISoftcoreBornForces in GB/VI force calculation
-
Mark Friedrichs authored
-
- 18 Nov, 2009 13 commits
-
-
Mark Friedrichs authored
-
Mark Friedrichs authored
Mods to get Free energy plugin libs to compile on Windows; still problem w/ kCalculateLocalSoftcoreForces.cu and hence OpenMMFreeEnergyCuda lib
-
Peter Eastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
Added #include <typeinfo> to see if it removes errors associated w/ std::bad_cast on Linux Ubuntu 4.3.2
-
Mark Friedrichs authored
-
- 17 Nov, 2009 4 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
Mark Friedrichs authored
Changed ReferenceFreeEnergyPlatform name to ReferenceFreeEnergy Removed references to ParameterFileName in GB/VI
-
Peter Eastman authored
Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.
-
- 13 Nov, 2009 1 commit
-
-
Peter Eastman authored
-
- 12 Nov, 2009 8 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
replaced w/ the "KISS" (Keep It Simple Stupid) random number generator implemented in rng.h & rng.cpp
-
Mark Friedrichs authored
-
Peter Eastman authored
-
Peter Eastman authored
-
- 11 Nov, 2009 7 commits
-
-
Peter Eastman authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Mark Friedrichs authored
-
Peter Eastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-