Commits · 832e7f0456ece92c6520349d1966f90b1abcf84d · tsoc / openmm

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
11 Apr, 2014 1 commit
- Removed _d suffix from debug libraries · 1cb3190e
  peastman authored Apr 11, 2014
  
  1cb3190e
10 Apr, 2014 1 commit
- Fixed bug in OpenCL implementation of GBSA on CPU devices · cd0ee42e
  peastman authored Apr 09, 2014
  
  cd0ee42e
09 Apr, 2014 1 commit
- Disable OpenCL platform on known-buggy macs · 9edaf653
  Robert McGibbon authored Apr 09, 2014
  
  9edaf653
13 Mar, 2014 1 commit
- Fixed compilation errors on Windows · 77cec3f7
  Peter Eastman authored Mar 13, 2014
  
  77cec3f7
11 Mar, 2014 1 commit
- Added option to explicitly set PME parameters · c9eef8cf
  peastman authored Mar 11, 2014
  
  c9eef8cf
06 Mar, 2014 1 commit
- Removed unnecessary synchronization that hurt performance on Nvidia · 73643858
  Peter Eastman authored Mar 05, 2014
  
  73643858
04 Mar, 2014 2 commits
- added testMultipleBonds · c8fa8828
  Mike Garrahan authored Mar 04, 2014
  
  c8fa8828
- Revert "Added System::getNumDegreesOfFreedom()" · 52c35f70
  peastman authored Mar 04, 2014
```
This reverts commit 542ee547.
```
  52c35f70
03 Mar, 2014 1 commit
- Added System::getNumDegreesOfFreedom() · 542ee547
  peastman authored Mar 03, 2014
  
  542ee547
01 Mar, 2014 1 commit
- Removed some obsolete test code · b16bec99
  peastman authored Feb 28, 2014
  
  b16bec99
31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
```
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
30 Jan, 2014 1 commit
- Created OpenCL and CUDA implementations of Continuous3DFunction · 3279c73a
  peastman authored Jan 30, 2014
  
  3279c73a