Commits · 390e0a6b194ce995599f3e41b1beb1a0d82c6d1c · tsoc / openmm

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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 1 commit
- CUDA platform does PME on a separate stream · 832e7f04
  peastman authored Oct 08, 2014
  
  832e7f04
11 Sep, 2014 2 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
09 Sep, 2014 2 commits
- Cleaned up obsolete code · 68984320
  peastman authored Sep 09, 2014
  
  68984320
- 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 2 commits
- Made test cases more robust · c7f629ac
  peastman authored Sep 04, 2014
  
  c7f629ac
- Bug fixes to OpenCL version of CustomManyParticleForce · 9f77efc2
  Peter Eastman authored Sep 04, 2014
  
  9f77efc2
03 Sep, 2014 1 commit
- Bug fix · 9cd18aeb
  peastman authored Sep 03, 2014
  
  9cd18aeb
30 Aug, 2014 1 commit
- Bug fixes to CUDA version of CustomManyParticleForce · b11c8061
  peastman authored Aug 29, 2014
  
  b11c8061
29 Aug, 2014 3 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
22 Aug, 2014 1 commit
- Optimizations to CUDA version of CustomManyParticleForce · 150d943a
  peastman authored Aug 22, 2014
  
  150d943a
21 Aug, 2014 1 commit
- CUDA version of CustomManyParticleForce uses neighbor list · bddaf4e7
  peastman authored Aug 21, 2014
  
  bddaf4e7
20 Aug, 2014 1 commit
- Wrote code to build neighbor list for CUDA version of CustomManyParticleForce · e3b631f6
  peastman authored Aug 20, 2014
  
  e3b631f6
19 Aug, 2014 3 commits
- Implemented exclusions for CUDA version of CustomManyParticleForce · 786e1ee7
  peastman authored Aug 19, 2014
  
  786e1ee7
- Implemented type filters for CUDA version of CustomManyParticleForce · 65b56ee1
  peastman authored Aug 19, 2014
  
  65b56ee1
- Continuing to work on CUDA implementation of CustomManyParticleForce · 785592f4
  peastman authored Aug 19, 2014
  
  785592f4
18 Aug, 2014 2 commits
- Beginning of CUDA implementation of CustomManyParticleForce · 890963b9
  peastman authored Aug 18, 2014
  
  890963b9
- avoid syntax error if tabulated function min is negative · e30242b6
  Mike Garrahan authored Aug 18, 2014
  
  e30242b6
12 Aug, 2014 2 commits
- Fixed uninitialized memory error when using multiple GPUs · 2279888f
  peastman authored Aug 12, 2014
  
  2279888f
- Avoid integer overflow when dealing with very large systems · edd91641
  peastman authored Aug 12, 2014
  
  edd91641
30 Jul, 2014 1 commit
- Fix crash with empty interaction groups · 92d5b696
  peastman authored Jul 30, 2014
  
  92d5b696
15 Jul, 2014 1 commit
- Fixed bug when running on a CPU device · c9c5997b
  peastman authored Jul 15, 2014
  
  c9c5997b
27 Jun, 2014 3 commits
- Commented out testEinsteinCrystal(), since it failed much too often · d3b791c5
  peastman authored Jun 27, 2014
  
  d3b791c5
- Fixed some test failures · fbbfe67a
  peastman authored Jun 27, 2014
  
  fbbfe67a
- Fixed a rare memory corruption error when roundoff causes tile indices to be wrong · ece75910
  peastman authored Jun 27, 2014
  
  ece75910
02 Jun, 2014 1 commit
- Fixed bug when multiple virtual sites depend on the same particles (see bug 2019) · 496f469a
  peastman authored Jun 02, 2014
  
  496f469a
07 May, 2014 1 commit
- Fixed a bug in a test case · cafd3d74
  peastman authored May 07, 2014
  
  cafd3d74
06 May, 2014 1 commit
- Fixed bug using multiple devices with PME · f1991b3c
  peastman authored May 06, 2014
  
  f1991b3c
24 Apr, 2014 1 commit
- Created CUDA and OpenCL implementations of LocalCoordinatesSite · c88213f8
  peastman authored Apr 24, 2014
  
  c88213f8
11 Apr, 2014 1 commit
- Removed _d suffix from debug libraries · 1cb3190e
  peastman authored Apr 11, 2014
  
  1cb3190e
17 Mar, 2014 1 commit
- Began creating CPU implementation of CustomNonbondedForce · 7ab954bb
  peastman authored Mar 17, 2014
  
  7ab954bb
13 Mar, 2014 1 commit
- Fixed compilation errors on Windows · 77cec3f7
  Peter Eastman authored Mar 13, 2014
  
  77cec3f7