Commits · 3f2c29fbfd6c65cd6baf13f6503baad9d31e508f · tsoc / openmm

26 Apr, 2010 3 commits
- Optimizations to OpenCL platform · 3f2c29fb
  Peter Eastman authored Apr 26, 2010
  
  3f2c29fb
- Optimized OpenCL version of CCMA · 62a83f80
  Peter Eastman authored Apr 26, 2010
  
  62a83f80
- Fixed compilation error under Windows · e1a9418d
  Peter Eastman authored Apr 26, 2010
  
  e1a9418d
23 Apr, 2010 2 commits
- Fixed bug in Langevin integration when used with constraints · bd42d039
  Peter Eastman authored Apr 23, 2010
  
  bd42d039
- Fixed threading bug in CM motion removal · 4a401e78
  Peter Eastman authored Apr 23, 2010
  
  4a401e78
22 Apr, 2010 1 commit
- Converted OpenCL platform to use improved Langevin integrator · fee019b0
  Peter Eastman authored Apr 22, 2010
  
  fee019b0
20 Apr, 2010 4 commits
- Fixed error under Nvidia's OpenCL · 1cb9e183
  Peter Eastman authored Apr 20, 2010
  
  1cb9e183
- Fixed bugs in OpenCL CustomHbondForce · 14125aa9
  Peter Eastman authored Apr 20, 2010
  
  14125aa9
- Fixed compilation error · f2012ad8
  Peter Eastman authored Apr 20, 2010
  
  f2012ad8
- Workaround for AMD OpenCL bug: FFT can work with a smaller number of threads per work group · 374676c0
  Peter Eastman authored Apr 20, 2010
  
  374676c0
16 Apr, 2010 2 commits
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
- Fixed bug when a system involved multiple nonbonded forces (bug 1080) · 5bca8d12
  Peter Eastman authored Apr 16, 2010
  
  5bca8d12
14 Apr, 2010 2 commits
- OpenCL version of CustomHbondForce now supports exclusions · e706d710
  Peter Eastman authored Apr 14, 2010
  
  e706d710
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
08 Apr, 2010 1 commit
- Optimization: reduced the number of thread blocks · fac4150f
  Peter Eastman authored Apr 08, 2010
  
  fac4150f
07 Apr, 2010 2 commits
- Added newlines to eliminate compiler warnings · e360f3fd
  Peter Eastman authored Apr 07, 2010
  
  e360f3fd
- Fixed threading bug in PME · 066cfd60
  Peter Eastman authored Apr 07, 2010
  
  066cfd60
06 Apr, 2010 2 commits
- Bug fix · d6ad6438
  Peter Eastman authored Apr 06, 2010
  
  d6ad6438
- Bug fix · 536ebaf7
  Peter Eastman authored Apr 06, 2010
  
  536ebaf7
05 Apr, 2010 1 commit
- Bug fix on ATI processors · aeb5dc66
  Peter Eastman authored Apr 05, 2010
  
  aeb5dc66
01 Apr, 2010 1 commit

All platforms now handle nonbonded exceptions in a consistent way (they ignore... · b97ff259

Peter Eastman authored Apr 01, 2010

All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions).  Also started OpenCL implementation of CustomHbondForce.

b97ff259

30 Mar, 2010 1 commit
- Fixed compilation errors under AMD's OpenCL · 8868141e
  Peter Eastman authored Mar 30, 2010
  
  8868141e
26 Mar, 2010 1 commit
- Bug fix · 26721ca2
  Peter Eastman authored Mar 26, 2010
  
  26721ca2
05 Mar, 2010 1 commit
- Increased number of thread blocks · 45c23132
  Peter Eastman authored Mar 05, 2010
  
  45c23132
04 Mar, 2010 1 commit
- Bug fixes · 00b5aa4d
  Peter Eastman authored Mar 04, 2010
  
  00b5aa4d
03 Mar, 2010 1 commit
- Bug fix: fields were not being initialized · cdec19f9
  Peter Eastman authored Mar 03, 2010
  
  cdec19f9
10 Feb, 2010 2 commits
- Added an include that was required by some compilers · 7443ceac
  Peter Eastman authored Feb 10, 2010
  
  7443ceac
- BrownianIntegrator scales the friction coefficient by the mass · a34610da
  Peter Eastman authored Feb 10, 2010
  
  a34610da
06 Feb, 2010 1 commit
- Implemented CCMA for OpenCL platform · 74c3def4
  Peter Eastman authored Feb 06, 2010
  
  74c3def4
03 Feb, 2010 1 commit
- Fixed bug in AndersenThermostat · 44b26295
  Peter Eastman authored Feb 03, 2010
  
  44b26295
02 Feb, 2010 1 commit
- Created OpenCL implementation of CustomTorsionForce · a072c113
  Peter Eastman authored Feb 02, 2010
  
  a072c113
30 Jan, 2010 1 commit
- Created OpenCL version of CustomAngleForce · 4af689c5
  Peter Eastman authored Jan 30, 2010
  
  4af689c5
27 Jan, 2010 2 commits
- Fixed thread synchronization bug · 9c1a2669
  Peter Eastman authored Jan 27, 2010
  
  9c1a2669
- Fixed thread synchronization bug · a5e3869f
  Peter Eastman authored Jan 27, 2010
  
  a5e3869f
26 Jan, 2010 1 commit
- Implemented PME for OpenCL platform · b1a22214
  Peter Eastman authored Jan 26, 2010
  
  b1a22214
20 Jan, 2010 1 commit
- Created OpenCL sorting algorithm · 6c542539
  Peter Eastman authored Jan 20, 2010
  
  6c542539
19 Jan, 2010 1 commit

Preemptively added OPENMM_EXPORT to registerPlatforms() declaration of OpenCL platform, for the · 7c26b1c1

Christopher Bruns authored Jan 19, 2010

day when we try it on Windows.
Added "-isysroot /Developer/SDKs/MacOSX10.5.sdk -mmacosx-version-min=10.5" to Mac compile flags,
to possibly help run on Leopard.

7c26b1c1

16 Jan, 2010 1 commit
- Fixed compilation error under Windows · 3f11ad2c
  Peter Eastman authored Jan 16, 2010
  
  3f11ad2c
13 Jan, 2010 1 commit
- Fixed a compilation error under Linux · dec115db
  Peter Eastman authored Jan 13, 2010
  
  dec115db
12 Jan, 2010 1 commit
- Throw an exception if the user tries to use PME on OpenCL · 3f315a11
  Peter Eastman authored Jan 12, 2010
  
  3f315a11