Commits · 390e0a6b194ce995599f3e41b1beb1a0d82c6d1c · tsoc / openmm

21 Oct, 2014 1 commit
- Optimizations to multi-GPU calculations · 390e0a6b
  root authored Oct 21, 2014
  
  390e0a6b
15 Oct, 2014 1 commit
- Workaround to support GTX 980 · 942d4d7a
  Peter Eastman authored Oct 15, 2014
  
  942d4d7a
13 Oct, 2014 1 commit
- GBSAOBCForce allows the surface area energy to be changed · 34a604b8
  peastman authored Oct 13, 2014
  
  34a604b8
09 Oct, 2014 2 commits
- Further optimizations to NonbondedForce · 3d1b2186
  peastman authored Oct 09, 2014
  
  3d1b2186
- Bug fix · 19841146
  peastman authored Oct 09, 2014
  
  19841146
08 Oct, 2014 2 commits
- OpenCL platform does PME on a separate stream · 94aa8c3f
  peastman authored Oct 08, 2014
  
  94aa8c3f
- CUDA platform does PME on a separate stream · 832e7f04
  peastman authored Oct 08, 2014
  
  832e7f04
07 Oct, 2014 5 commits
- More optimizations to CpuCustomGBForce · 4c8750ad
  peastman authored Oct 07, 2014
  
  4c8750ad
- Very minor optimization to CpuCustomGBForce · ea435536
  peastman authored Oct 07, 2014
  
  ea435536
- Parallelized CpuCustomGBForce · 6a4ac837
  peastman authored Oct 07, 2014
  
  6a4ac837
- Further optimizations to CustomGBForce · bb70341a
  peastman authored Oct 07, 2014
  
  bb70341a
- Eliminated some unnecessary memory allocation · 83a0b613
  peastman authored Oct 07, 2014
  
  83a0b613
06 Oct, 2014 2 commits
- More optimizations to CPU CustomGBForce · 4d827cd9
  peastman authored Oct 06, 2014
  
  4d827cd9
- Began creating CPU version of CustomGBForce · 468a8a5c
  peastman authored Oct 06, 2014
  
  468a8a5c
03 Oct, 2014 1 commit
- Created MonteCarloMembraneBarostat · 7d1e3fc4
  peastman authored Oct 03, 2014
  
  7d1e3fc4
30 Sep, 2014 1 commit
- Fixed uninitialized memory error · ce5559f2
  peastman authored Sep 30, 2014
  
  ce5559f2
14 Sep, 2014 1 commit
- Updated code to obey BUILD_TESTING to allow for disabling of test compilation · 1e67b2ef
  James Sweet authored Sep 14, 2014
  
  1e67b2ef
11 Sep, 2014 3 commits
- Reversed a change that didn't help · 3e47d824
  peastman authored Sep 11, 2014
  
  3e47d824
- Switched to a slightly faster (and more accurate) approximation for erfc() · 4b5b08af
  peastman authored Sep 11, 2014
  
  4b5b08af
- Fixed a compilation error in double precision mode · d7620eff
  peastman authored Sep 11, 2014
  
  d7620eff
10 Sep, 2014 1 commit
- Prevent nan in CPU platform when two excluded particles are exactly on top of each other · 4c19a401
  peastman authored Sep 10, 2014
  
  4c19a401
09 Sep, 2014 6 commits
- Cleaned up obsolete code · 68984320
  peastman authored Sep 09, 2014
  
  68984320
- Fixed bug on Intel GPUs · 3031c4da
  peastman authored Sep 09, 2014
  
  3031c4da
- Improved performance of building neighbor list on AMD GPUs · ae466134
  peastman authored Sep 09, 2014
  
  ae466134
- Bug fixes · f9fbe12a
  peastman authored Sep 09, 2014
  
  f9fbe12a
- Ported the new version of findBlocksWithInteractions() to OpenCL (not yet debugged) · 70bd61a6
  peastman authored Sep 09, 2014
  
  70bd61a6
- Fixed bug in CustomManyParticleForce that caused crash · 904a9c10
  peastman authored Sep 08, 2014
  
  904a9c10
08 Sep, 2014 1 commit
- Rewrote findBlocksWithInteractions() in a way that is both faster and simpler. · bfeb8ac7
  peastman authored Sep 08, 2014
  
  bfeb8ac7
04 Sep, 2014 3 commits
- Made test cases more robust · c7f629ac
  peastman authored Sep 04, 2014
  
  c7f629ac
- Fixed errors compiling kernels in double precision mode · 6a38039f
  peastman authored Sep 04, 2014
  
  6a38039f
- Bug fixes to OpenCL version of CustomManyParticleForce · 9f77efc2
  Peter Eastman authored Sep 04, 2014
  
  9f77efc2
03 Sep, 2014 4 commits
- Bug fix · 9cd18aeb
  peastman authored Sep 03, 2014
  
  9cd18aeb
- Fixed a potential segfault · aa970221
  peastman authored Sep 03, 2014
  
  aa970221
- Fixed errors on Windows · c66766a8
  peastman authored Sep 03, 2014
  
  c66766a8
- Created OpenCL version of CustomManyParticleForce (not yet fully debugged) · 6f7dee30
  peastman authored Sep 03, 2014
  
  6f7dee30
30 Aug, 2014 1 commit
- Bug fixes to CUDA version of CustomManyParticleForce · b11c8061
  peastman authored Aug 29, 2014
  
  b11c8061
29 Aug, 2014 4 commits
- Bug fixes to CustomManyParticleForce · 3134fbb9
  peastman authored Aug 29, 2014
  
  3134fbb9
- Implemented UniqueCentralParticle mode in CUDA version of CustomManyParticleForce · c2d461f5
  peastman authored Aug 29, 2014
  
  c2d461f5
- Minor optimization to CUDA version of CustomManyParticleForce · a306aa58
  peastman authored Aug 29, 2014
  
  a306aa58
- CustomManyParticleForce offers two different "permutation modes". Implemented... · f5acdd7a
  peastman authored Aug 28, 2014
```
CustomManyParticleForce offers two different "permutation modes".  Implemented it for Reference and CPU platforms.
```
  f5acdd7a