Commits · 2e83bfc881009c8af947939ad933c562f66507b1 · tsoc / openmm

06 Jan, 2014 1 commit
- Improved logic for selecting a platform to better deal with exceptions in context initialization · d91e3f19
  peastman authored Jan 06, 2014
  
  d91e3f19
23 Aug, 2013 2 commits
- bugfixes to previous commit · 27b802cf
  Robert McGibbon authored Aug 22, 2013
  
  27b802cf
- initial commit on this idea · 576eb902
  Robert McGibbon authored Aug 22, 2013
  
  576eb902
27 Jun, 2013 1 commit
- OpenCL platform can use the CPU based PME · f2548616
  peastman authored Jun 27, 2013
  
  f2548616
04 Apr, 2013 1 commit
- Ensure that CUDA is chosen over OpenCL when both are available · 4e50d721
  Peter Eastman authored Apr 04, 2013
  
  4e50d721
28 Mar, 2013 1 commit
- Added platform properties to report the CUDA/OpenCL device name and OpenCL platform name · 0f83704f
  Peter Eastman authored Mar 28, 2013
  
  0f83704f
12 Dec, 2012 1 commit
- Fixed compilation errors on Windows · b256555e
  Peter Eastman authored Dec 12, 2012
  
  b256555e
25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
24 Oct, 2012 1 commit
- Minor fixes and cleanup · e479d792
  Peter Eastman authored Oct 24, 2012
  
  e479d792
17 Oct, 2012 1 commit
- Continuing to implement double precision in OpenCL · c8dac206
  Peter Eastman authored Oct 17, 2012
  
  c8dac206
16 Oct, 2012 1 commit
- Beginnings of mixed/double precision support in OpenCL · 8d6a2a01
  Peter Eastman authored Oct 16, 2012
  
  8d6a2a01
31 May, 2012 1 commit
- Implemented updateParametersInContext() for NonbondedForce · 59b0c5fa
  Peter Eastman authored May 31, 2012
  
  59b0c5fa
11 May, 2012 1 commit
- Fixed bugs in checkpointing · fcdba25c
  Peter Eastman authored May 11, 2012
  
  fcdba25c
09 May, 2012 1 commit
- Created OpenCL implementation of CustomCompoundBondForce · 0e6cbcea
  Peter Eastman authored May 09, 2012
  
  0e6cbcea
31 Jan, 2012 1 commit
- LocalEnergyMinimizer works with virtual sites · f30ddfa4
  Peter Eastman authored Jan 31, 2012
  
  f30ddfa4
06 Jan, 2012 1 commit
- Beginnings of OpenCL implementation of CustomIntegrator · c7c13602
  Peter Eastman authored Jan 06, 2012
  
  c7c13602
27 Oct, 2011 1 commit
- Added OpenCLPlatformIndex property for selecting platform · 6660be2f
  Peter Eastman authored Oct 27, 2011
  
  6660be2f
12 May, 2011 1 commit
- Optimized communication between GPUs by using pinned memory · 72dc8dfe
  Peter Eastman authored May 12, 2011
  
  72dc8dfe
26 Apr, 2011 1 commit
- Use a separate host thread for each device · 6e3526b4
  Peter Eastman authored Apr 26, 2011
  
  6e3526b4
23 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · b51a1b3c
  Peter Eastman authored Apr 23, 2011
  
  b51a1b3c
21 Apr, 2011 1 commit
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
19 Jul, 2010 1 commit
- Created OpenCL implementation of CMAPTorsionForce · 258fd0f1
  Peter Eastman authored Jul 19, 2010
  
  258fd0f1
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
14 May, 2010 1 commit
- Fixed problems in MonteCarloBarostat and created OpenCL implementation · 70ca43ad
  Peter Eastman authored May 14, 2010
  
  70ca43ad
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

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
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

22 Dec, 2009 1 commit
- Patched large memory leak in Context cleanup for OpenCL platform. · 84819edd
  John Chodera authored Dec 22, 2009
  
  84819edd
05 Dec, 2009 1 commit
- Beginnings of OpenCL implementation of CustomGBForce · 51fc3bd2
  Peter Eastman authored Dec 05, 2009
  
  51fc3bd2
01 Dec, 2009 1 commit
- Changed how plugin initialization is done to avoid initialization order problems · 32946009
  Peter Eastman authored Dec 01, 2009
  
  32946009
25 Nov, 2009 1 commit

Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26

Peter Eastman authored Nov 25, 2009

Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.

cfcebe26

11 Nov, 2009 1 commit
- Created OpenCL implementation of CustomExternalForce. Also fixed a bug. · 67b261f6
  Peter Eastman authored Nov 11, 2009
  
  67b261f6
10 Nov, 2009 1 commit
- Created OpenCL implementation of CustomBondForce · 1f6802f9
  Peter Eastman authored Nov 10, 2009
  
  1f6802f9
07 Nov, 2009 1 commit
- Fixed two bugs · 8365dede
  Peter Eastman authored Nov 07, 2009
  
  8365dede
06 Nov, 2009 2 commits
- Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs. · cc5467e7
  Peter Eastman authored Nov 06, 2009
  
  cc5467e7
- Created (not yet fully debugged) OpenCL implementation of... · 3cf5495a
  Peter Eastman authored Nov 06, 2009
```
Created (not yet fully debugged) OpenCL implementation of VariableVerletIntegrator and VariableLangevinIntegrator.
```
  3cf5495a
05 Nov, 2009 1 commit
- Created OpenCL implementation of CMMotionRemover. Also made a few optimizations. · f2391672
  Peter Eastman authored Nov 05, 2009
  
  f2391672
30 Oct, 2009 1 commit
- Began OpenCL implementation of CustomNonbondedForce · 84d482e2
  Peter Eastman authored Oct 30, 2009
  
  84d482e2
10 Oct, 2009 1 commit
- Began OpenCL implementation of GBSA · ffab317b
  Peter Eastman authored Oct 10, 2009
  
  ffab317b