Commits · 195bcecf2839458e14a7c8fe72e50f5380782dbc · tsoc / openmm

07 Jan, 2015 1 commit
- Began implementing OpenCL support for triclinic boxes · 195bcecf
  Peter Eastman authored Jan 07, 2015
  
  195bcecf
19 Dec, 2014 1 commit
- CPU PME works with triclinic boxes · f6aae604
  peastman authored Dec 18, 2014
  
  f6aae604
14 Nov, 2014 1 commit
- Minor optimization to sorting · 4c0621ed
  Peter Eastman authored Nov 14, 2014
  
  4c0621ed
10 Nov, 2014 1 commit
- Fixed a bug in neighbor list construction · d5666536
  peastman authored Nov 10, 2014
  
  d5666536
04 Nov, 2014 1 commit
- Improvements to multi-GPU performance · f32c804b
  peastman authored Nov 04, 2014
  
  f32c804b
23 Oct, 2014 1 commit
- Minor optimization to discrete tabulated functions · 87ea8433
  Peter Eastman authored Oct 23, 2014
  
  87ea8433
22 Oct, 2014 1 commit
- Better workaround for bug on GTX 980 · be863b08
  Peter Eastman authored Oct 22, 2014
  
  be863b08
21 Oct, 2014 1 commit
- Workaround for driver bugs that affect GTX 980 · 8e2fc4ea
  Peter Eastman authored Oct 21, 2014
  
  8e2fc4ea
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
- OpenCL platform does PME on a separate stream · 94aa8c3f
  peastman authored Oct 08, 2014
  
  94aa8c3f
11 Sep, 2014 2 commits
- 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
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
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 2 commits
- Bug fix · 9cd18aeb
  peastman authored Sep 03, 2014
  
  9cd18aeb
- Created OpenCL version of CustomManyParticleForce (not yet fully debugged) · 6f7dee30
  peastman authored Sep 03, 2014
  
  6f7dee30
18 Aug, 2014 1 commit
- 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
23 Jul, 2014 1 commit
- Fixed error in OpenCL MonteCarloBarostat in double precision · debe1662
  peastman authored Jul 23, 2014
  
  debe1662
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
03 Jun, 2014 1 commit
- Fixed a crash with virtual sites in double precision mode · 3bf0edb4
  peastman authored Jun 03, 2014
  
  3bf0edb4
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
14 May, 2014 1 commit
- Preliminary support for ARM/Android. · 454caac9
  peastman authored May 14, 2014
  
  454caac9
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