- 25 Oct, 2015 1 commit
-
-
Robert T. McGibbon authored
This change is intended to improve the behavior when multiple CUDA contexts are created on a node with multiple CUDA GPUs, each of which is set to process-exclusive mode.
-
- 19 Oct, 2015 3 commits
-
-
Robert T. McGibbon authored
-
Robert T. McGibbon authored
-
Robert T. McGibbon authored
-
- 09 Oct, 2015 3 commits
-
-
peastman authored
Added checks for nan coordinates in CUDA and OpenCL
-
peastman authored
Add code supporting input with and without units for CharmmPsfFile.
-
Jason Swails authored
Add relevant tests (that used to fail). This also fixes a subtle bug where switching functions were not applied when NBFIXes were specified.
-
- 08 Oct, 2015 1 commit
-
-
Peter Eastman authored
-
- 07 Oct, 2015 8 commits
-
-
peastman authored
Removed some unnecessary double precision
-
Peter Eastman authored
-
peastman authored
Add permissive flag to permit undefined atomtypes when reading charmm parameter files
-
peastman authored
Fixed a bug in AmoebaMultipoleForce
-
M J Harvey authored
-
M J Harvey authored
-
M J Harvey authored
-
M J Harvey authored
-
- 06 Oct, 2015 8 commits
-
-
M J Harvey authored
-
M J Harvey authored
-
M J Harvey authored
-
peastman authored
Replace JOM with NMake in Appveyor build
-
Robert McGibbon authored
-
peastman authored
Hard wall constraints for DrudeLangevinIntegrator
-
peastman authored
-
Peter Eastman authored
-
- 05 Oct, 2015 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 02 Oct, 2015 2 commits
-
-
peastman authored
Further improved energy accuracy in mixed precision mode
-
Peter Eastman authored
-
- 01 Oct, 2015 6 commits
-
-
peastman authored
More optimizations to CPU platform
-
peastman authored
Fix units of returned dipoles and quadrupoles from AmoebaMultipoleForce.
-
Jason Swails authored
Now that I have my head on straight, that is.
-
peastman authored
-
Peter Eastman authored
-
peastman authored
-
- 30 Sep, 2015 4 commits
-
-
peastman authored
Fix very irritating behavior on some Mac systems.
-
peastman authored
Don't try to build tests if BUILD_TESTING is off
-
Peter Eastman authored
-
Jason Swails authored
Hard-code CC and CXX to clang for Macs, since gcc/g++ will *not* work with Anaconda, despite the fact that distutils will try to use them. System Python, homebrew, and MacPorts on Macs will always use clang, so this hack should always work and fix issues with users that have GCC installed from MacPorts or homebrew *and* Anaconda.
-
- 29 Sep, 2015 2 commits
-
-
peastman authored
Add a set of unit tests for unit handling in the core API.
-
Jason Swails authored
-