Commits · 9e1145ac70f00664caadd35e4488824e35e88713 · tsoc / openmm

21 Sep, 2015 1 commit
- Fixed CustomExternalForce::usesPeriodicBoundaryConditions() · 9e1145ac
  peastman authored Sep 21, 2015
  
  9e1145ac
18 Sep, 2015 2 commits
- Began CUDA implementation of periodicdistance() function for CustomExternalForce · 0b77ab91
  peastman authored Sep 18, 2015
  
  0b77ab91
- Reference implementation of periodicdistance() function for CustomExternalForce · cceb3171
  peastman authored Sep 18, 2015
  
  cceb3171
03 Sep, 2015 2 commits
- Fixed compilation error with gcc · 1c3e2d6f
  peastman authored Sep 03, 2015
  
  1c3e2d6f
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
02 Sep, 2015 1 commit
- Finished CUDA version of CustomCentroidBondForce · 5d9fc98b
  peastman authored Sep 02, 2015
  
  5d9fc98b
01 Sep, 2015 1 commit
- Created reference implementation of CustomCentroidBondForce · 56d95193
  peastman authored Sep 01, 2015
  
  56d95193
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
20 Aug, 2015 1 commit
- Fixed an unnecessary exception in SETTLE code · 1342158e
  peastman authored Aug 20, 2015
  
  1342158e
12 Aug, 2015 1 commit
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
14 Jul, 2015 1 commit
- Fixed error in constructing CCMA matrix · 3cf4e73a
  peastman authored Jul 14, 2015
  
  3cf4e73a
13 Jul, 2015 1 commit
- Reference implementation of flow control in CustomIntegrator · 44b96f0c
  peastman authored Jul 13, 2015
  
  44b96f0c
07 Jul, 2015 1 commit
- Created test case for force groups having different cutoffs · ab8d97b3
  Peter Eastman authored Jul 07, 2015
  
  ab8d97b3
06 May, 2015 2 commits
- Fixed failing test cases. Increased default minimizer tolerance to 10. · f18fa49c
  Peter Eastman authored May 06, 2015
  
  f18fa49c
- Implemented select() in custom expressions · 2b7bbdb0
  peastman authored May 06, 2015
  
  2b7bbdb0
14 Apr, 2015 1 commit
- Fixed some compilation errors · 1129599e
  peastman authored Apr 13, 2015
  
  1129599e
25 Mar, 2015 1 commit
- Parallelized extraction of inverse matrix for CCMA · 787869c3
  peastman authored Mar 25, 2015
  
  787869c3
19 Mar, 2015 1 commit
- Simplification to reference platform tests · f66c9b61
  peastman authored Mar 19, 2015
  
  f66c9b61
16 Mar, 2015 1 commit
- Added updateParametersInContext() to CMAPTorsionForce, and implemented in reference platform · 474bbf7a
  peastman authored Mar 16, 2015
  
  474bbf7a
06 Mar, 2015 1 commit
- For multi-GPU, exceeding the size of the neighbor list causes the forces to be marked as invalid · bd666c27
  peastman authored Mar 06, 2015
  
  bd666c27
21 Feb, 2015 2 commits
- Deleted obsolete debugging code · f72062af
  peastman authored Feb 20, 2015
  
  f72062af
- Combined subfolders in reference source, and renamed a couple of badly named classes · 3d69185a
  peastman authored Feb 20, 2015
  
  3d69185a
20 Feb, 2015 4 commits
- Elimininated obsolete SimTKOpenMMCommon files · 0671c7b0
  peastman authored Feb 20, 2015
  
  0671c7b0
- Cleaned up lots of formatting to be more consistent with the rest of OpenMM · 7fb10336
  peastman authored Feb 20, 2015
  
  7fb10336
- Deleted obsolete logging class · 1d3ffd7b
  peastman authored Feb 20, 2015
  
  1d3ffd7b
- Moved reference platform classes into OpenMM namespace · 9111cca0
  peastman authored Feb 20, 2015
  
  9111cca0
19 Feb, 2015 1 commit
- Minor changes to speed up some test cases · f2958043
  peastman authored Feb 18, 2015
  
  f2958043
14 Jan, 2015 1 commit
- Removed some unneeded code · 3b2579a5
  Peter Eastman authored Jan 14, 2015
  
  3b2579a5
12 Jan, 2015 2 commits
- Updated test cases to catch a bug that was just fixed · 5ae844b2
  peastman authored Jan 12, 2015
  
  5ae844b2
- Fixed bug in reference CustomCompoundBondForce · 29856d18
  peastman authored Jan 12, 2015
  
  29856d18
10 Jan, 2015 1 commit
- Change comments so that it does not reference generating seeds from the clock. · d422c306
  Jason Swails authored Jan 10, 2015
  
  d422c306
05 Jan, 2015 1 commit
- Attempt to move the implementation of separate osrngseed() calls for each · e04a7368
  Jason Swails authored Jan 05, 2015
```
Context into the platform rather than hacked into getRandomNumberSeed...

Someone please check this.
```
  e04a7368
03 Jan, 2015 1 commit
- Changes to bring in line with SimTK style guide. · b8f6d269
  Jason Swails authored Jan 02, 2015
  
  b8f6d269
30 Dec, 2014 3 commits
- thermstat -> thermostat · ab82c962
  Jason Swails authored Dec 30, 2014
  
  ab82c962
- Update the tests of the classes I just updated. · ba37b26b
  Jason Swails authored Dec 30, 2014
  
  ba37b26b
- Add tests for the new usesPeriodicBoundaryConditions API function to the · 31d0d857
  Jason Swails authored Dec 30, 2014
```
Reference platform.
```
  31d0d857
19 Dec, 2014 1 commit
- CPU PME works with triclinic boxes · f6aae604
  peastman authored Dec 18, 2014
  
  f6aae604
17 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in CPU platform · 78e5f13a
  peastman authored Dec 16, 2014
  
  78e5f13a
16 Dec, 2014 1 commit
- CpuNeighborList correctly handles triclinic boxes · 4193a416
  peastman authored Dec 16, 2014
  
  4193a416
11 Dec, 2014 1 commit
- ReferenceNeighborList correctly handles triclinic boxes · 34ddae96
  peastman authored Dec 11, 2014
  
  34ddae96