Commits · a3a17da17cad93ef7f8999c63a775c7a33eeb76f · tsoc / openmm

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06 Feb, 2018 1 commit
- Include PME optimization for OpenCL on CPU · a3a17da1
  peastman authored Feb 06, 2018
  
  a3a17da1
02 Feb, 2018 1 commit
- Optimization to charge spreading · f2e734dc
  Peter Eastman authored Feb 02, 2018
  
  f2e734dc
06 Sep, 2017 1 commit
- Fixed error using interaction groups with parameter derivatives · 9bdab7b6
  peastman authored Sep 06, 2017
  
  9bdab7b6
18 Jul, 2017 1 commit
- CUDA implementation of LocalCoordinatesSite depending on arbitrary particles · b2222de3
  Peter Eastman authored Jul 18, 2017
  
  b2222de3
17 Jul, 2017 1 commit
- OpenCL implementation of LocalCoordinatesSite depending on arbitrary particles · 80c223a8
  peastman authored Jul 17, 2017
  
  80c223a8
19 Jun, 2017 1 commit
- Sum energy on the GPU · 711c3a5a
  Peter Eastman authored Jun 19, 2017
  
  711c3a5a
15 Jun, 2017 1 commit
- Completed OpenCL implementation of CustomCVForce · aee84c82
  peastman authored Jun 15, 2017
  
  aee84c82
14 Jun, 2017 1 commit
- Began creating OpenCL implementation of CustomCVForce · 48378da7
  peastman authored Jun 14, 2017
  
  48378da7
09 May, 2017 1 commit
- Fixed bug in CustomManyParticleForce. · e84f5b71
  Peter Eastman authored May 09, 2017
  
  e84f5b71
24 Apr, 2017 1 commit
- Bug fixes to CustomHbondForce · a64a5b21
  Peter Eastman authored Apr 24, 2017
  
  a64a5b21
14 Apr, 2017 1 commit
- Fixed bug accessing parameters for CustomHbondForce · 4c17f597
  Peter Eastman authored Apr 14, 2017
  
  4c17f597
23 Feb, 2017 1 commit
- Fixed errors · 766f480f
  peastman authored Feb 22, 2017
  
  766f480f
14 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for OpenCL · 67091abf
  Peter Eastman authored Feb 14, 2017
  
  67091abf
08 Feb, 2017 1 commit
- Created OpenCL implementation of dispersion PME · 5ef1d4eb
  Peter Eastman authored Feb 08, 2017
  
  5ef1d4eb
11 Jan, 2017 1 commit
- Fix for errors on Pascal GPUs · 5044c12d
  Peter Eastman authored Jan 11, 2017
  
  5044c12d
10 Jan, 2017 1 commit
- Fixed bug in building neighbor list · cfa7ab82
  Peter Eastman authored Jan 10, 2017
  
  cfa7ab82
02 Dec, 2016 1 commit
- Fixed error building neighbor list with triclinic boxes · 5e535679
  Peter Eastman authored Dec 02, 2016
  
  5e535679
01 Dec, 2016 2 commits
- Fixed error compiling kernel · ea3c4747
  Peter Eastman authored Dec 01, 2016
  
  ea3c4747
- Langevin integrator supports setting friction to 0 · 37a87d8a
  Peter Eastman authored Dec 01, 2016
  
  37a87d8a
30 Nov, 2016 1 commit
- Fixes to CustomIntegrator · 403e4744
  Peter Eastman authored Nov 29, 2016
  
  403e4744
07 Nov, 2016 1 commit
- Fixed bug in switching functions with CustomNonbondedForce · c300870a
  Peter Eastman authored Nov 07, 2016
  
  c300870a
18 Oct, 2016 1 commit
- Fixed bug in OpenCL as well · 2c47f7b2
  Peter Eastman authored Oct 18, 2016
  
  2c47f7b2
12 Sep, 2016 1 commit
- Minor optimizations · 5ab3c394
  Peter Eastman authored Sep 12, 2016
  
  5ab3c394
06 Sep, 2016 2 commits
- Bug fix · ddcbe161
  Peter Eastman authored Sep 06, 2016
  
  ddcbe161
- Improved GB performance in mixed precision · bb7cba08
  Peter Eastman authored Sep 06, 2016
  
  bb7cba08
02 Sep, 2016 1 commit
- Minor code cleanup · 43c8e814
  peastman authored Sep 02, 2016
  
  43c8e814
19 Aug, 2016 2 commits
- Further optimizations to neighbor list · b07cf776
  Peter Eastman authored Aug 19, 2016
  
  b07cf776
- Minor optimizations · d927ff49
  Peter Eastman authored Aug 19, 2016
  
  d927ff49
09 Aug, 2016 1 commit
- Fixed compilation error in mixed precision mode · ddd7307d
  Peter Eastman authored Aug 09, 2016
  
  ddd7307d
05 Aug, 2016 1 commit
- Fixed compilation error with OpenCL on CPU · 2f024f11
  peastman authored Aug 05, 2016
  
  2f024f11
29 Jul, 2016 2 commits
- Bug fixes to OpenCL on CPU · 823b9a75
  peastman authored Jul 29, 2016
  
  823b9a75
- CUDA and OpenCL implementation of parameter derivatives for CustomCentroidBondForce · b90354c9
  Peter Eastman authored Jul 29, 2016
  
  b90354c9
27 Jul, 2016 2 commits
- Continuing CUDA implementation of parameter derivatives · 4949017b
  Peter Eastman authored Jul 27, 2016
  
  4949017b
- Bug fixes to parameter derivatives for OpenCL CustomGBForce · e47cf907
  peastman authored Jul 27, 2016
  
  e47cf907
26 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomIntegrator · dbdf1c68
  peastman authored Jul 26, 2016
  
  dbdf1c68
22 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomGBForce · 74efa95f
  peastman authored Jul 22, 2016
  
  74efa95f
07 Jul, 2016 1 commit
- Implemented parameter derivatives in OpenCL platform · d0d8fe98
  peastman authored Jul 07, 2016
  
  d0d8fe98
27 Jun, 2016 1 commit
- Fixed energy error for Drude particle at same location as its parent atom · 9b9002c7
  Peter Eastman authored Jun 27, 2016
  
  9b9002c7
06 Jun, 2016 1 commit
- Fixed error with PME when particles are exactly on top of each other · 04165dc1
  peastman authored Jun 06, 2016
  
  04165dc1
25 May, 2016 1 commit
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1