Commits · f4dc3110af638cd467e0f2c18bc14cbc3f429e7c · tsoc / openmm

24 Jan, 2018 1 commit
- CUDA implementation of RMSDForce · f4dc3110
  Peter Eastman authored Jan 24, 2018
  
  f4dc3110
16 Jun, 2017 1 commit
- CUDA implementation of CustomCVForce · f995aceb
  Peter Eastman authored Jun 16, 2017
  
  f995aceb
19 Jan, 2017 1 commit
- Added initial CUDA LJPME code, and modified cpupme plugin to handle LJPME as a standalone method. · 7b66ba19
  Andy Simmonett authored Jan 19, 2017
  
  7b66ba19
01 Aug, 2016 1 commit
- Began CUDA version of GayBerneForce · 222b3bb4
  peastman authored Aug 01, 2016
  
  222b3bb4
22 Apr, 2016 1 commit
- Minor code cleanup · cc4caaba
  Peter Eastman authored Apr 22, 2016
  
  cc4caaba
21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
29 Mar, 2016 1 commit
- Added property to request deterministic forces · cddeb60f
  Peter Eastman authored Mar 28, 2016
  
  cddeb60f
04 Feb, 2016 1 commit
- Parallelized the code for downloading positions · 8d293880
  Peter Eastman authored Feb 04, 2016
  
  8d293880
21 Jan, 2016 1 commit
- Created property for disabling the PME stream · 3a0fa3b2
  Peter Eastman authored Jan 20, 2016
  
  3a0fa3b2
20 Jan, 2016 1 commit
- Fixed bug in selecting device index · 35913c2a
  peastman authored Jan 20, 2016
  
  35913c2a
04 Nov, 2015 1 commit
- Finished implementing CompoundIntegrator · 5fa6fbc1
  Peter Eastman authored Nov 04, 2015
  
  5fa6fbc1
02 Sep, 2015 1 commit
- Began CUDA version of CustomCentroidBondForce · 4d823b0a
  peastman authored Sep 02, 2015
  
  4d823b0a
21 Oct, 2014 1 commit
- Optimizations to multi-GPU calculations · 390e0a6b
  root authored Oct 21, 2014
  
  390e0a6b
18 Aug, 2014 1 commit
- Beginning of CUDA implementation of CustomManyParticleForce · 890963b9
  peastman authored Aug 18, 2014
  
  890963b9
27 Jan, 2014 1 commit
- CPU, CUDA, and OpenCL platforms can now be built statically · 8285d658
  Yutong Zhao authored Jan 27, 2014
  
  8285d658
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
13 Dec, 2013 1 commit
- Added option for setting CUDA host compiler · b989fd9b
  peastman authored Dec 13, 2013
  
  b989fd9b
27 Jun, 2013 2 commits
- OpenCL platform can use the CPU based PME · f2548616
  peastman authored Jun 27, 2013
  
  f2548616
- Created platform property for specifying whether to use the CPU based PME · d942ac2f
  peastman authored Jun 27, 2013
  
  d942ac2f
24 Jun, 2013 1 commit
- Moved CPU based PME to a separate plugin · 5e0b0e3a
  peastman authored Jun 24, 2013
  
  5e0b0e3a
25 Apr, 2013 1 commit
- Disabled peer-to-peer communication, since it currently makes things slower · 95696f7a
  Peter Eastman authored Apr 25, 2013
  
  95696f7a
08 Apr, 2013 1 commit
- Use peer to peer copying between GPUs when available · 41bcc20f
  Peter Eastman authored Apr 08, 2013
  
  41bcc20f
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
22 Mar, 2013 1 commit
- Replaced lots of tabs with spaces · b723e4af
  Peter Eastman authored Mar 22, 2013
  
  b723e4af
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
28 Sep, 2012 1 commit
- Renamed cuda2 platform to cuda · 58b094ce
  Peter Eastman authored Sep 28, 2012
  
  58b094ce
21 Sep, 2012 1 commit
- Can use OPENMM_CUDA_COMPILER environment variable to set the path to the CUDA compiler · 20e01186
  Peter Eastman authored Sep 21, 2012
  
  20e01186
10 Jul, 2012 1 commit
- Implemented mixed precision mode · 18fb6efc
  Peter Eastman authored Jul 10, 2012
  
  18fb6efc
03 Jul, 2012 1 commit
- New CUDA platform works on Windows · ca7fd533
  Peter Eastman authored Jul 03, 2012
  
  ca7fd533
20 Jun, 2012 1 commit
- Made the identification of temporary files directory more robust · 16f43ede
  Peter Eastman authored Jun 20, 2012
  
  16f43ede
05 Jun, 2012 1 commit
- Continuing to implement new CUDA platform · 3e16cab9
  Peter Eastman authored Jun 05, 2012
  
  3e16cab9
04 Jun, 2012 1 commit
- Very early beginnings of new CUDA platform · abb8cb4b
  Peter Eastman authored Jun 04, 2012
  
  abb8cb4b
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