Commits · a381a3ab4b8b4f7db33fcc9dd2408dc65af12fc2 · tsoc / openmm · GitLab

29 Jul, 2016 3 commits
- Fixed segfault · 7851bad8
  Peter Eastman authored Jul 29, 2016
  
  7851bad8
- 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 4 commits
- Continuing CUDA implementation of parameter derivatives · ccb2000d
  Peter Eastman authored Jul 27, 2016
  
  ccb2000d
- Continuing CUDA implementation of parameter derivatives · 4949017b
  Peter Eastman authored Jul 27, 2016
  
  4949017b
- Began CUDA implementation of parameter derivatives · eae8def5
  Peter Eastman authored Jul 27, 2016
  
  eae8def5
- 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
25 Jul, 2016 1 commit
- Reference implementation of parameter derivatives for CustomIntegrator · 2a52e208
  peastman authored Jul 25, 2016
  
  2a52e208
22 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomGBForce · 74efa95f
  peastman authored Jul 22, 2016
  
  74efa95f
13 Jul, 2016 1 commit
- CPU implementation of parameter derivatives for CustomGBForce · ff8cac54
  peastman authored Jul 12, 2016
  
  ff8cac54
12 Jul, 2016 1 commit
- Reference implementation of parameter derivatives for CustomGBForce · aeaa6f2e
  peastman authored Jul 12, 2016
  
  aeaa6f2e
11 Jul, 2016 1 commit
- Use CompiledExpressionSet for reference CustomGBForce · 0b1f03db
  peastman authored Jul 11, 2016
  
  0b1f03db
08 Jul, 2016 1 commit
- Implemented parameter derivatives for CustomCompoundBondForce and CustomCentroidBondForce · f54a0079
  peastman authored Jul 08, 2016
  
  f54a0079
07 Jul, 2016 2 commits
- Implemented parameter derivatives in OpenCL platform · d0d8fe98
  peastman authored Jul 07, 2016
  
  d0d8fe98
- Implemented parameter derivatives in CPU platform · 77fe86e4
  peastman authored Jul 07, 2016
  
  77fe86e4
06 Jul, 2016 2 commits
- Continuing to implement derivatives with respect to parameters · 8e01339d
  peastman authored Jul 06, 2016
  
  8e01339d
- Beginnings of support for derivatives with respect to parameters · cd566c63
  peastman authored Jul 06, 2016
  
  cd566c63
27 Jun, 2016 2 commits
- Fixed compilation error on Windows · 133bb74b
  Peter Eastman authored Jun 27, 2016
  
  133bb74b
- 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
03 Jun, 2016 1 commit
- Fixed incorrect checkpointing of reference random number generator · 813275a0
  peastman authored Jun 03, 2016
  
  813275a0
25 May, 2016 3 commits
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1
- OpenCL version of GayBerneForce requires 64 bit atomics · 5ecc8e00
  Peter Eastman authored May 25, 2016
  
  5ecc8e00
- Continuing to implement OpenCL version of GayBerneForce · f1ca1e6d
  Peter Eastman authored May 25, 2016
  
  f1ca1e6d
24 May, 2016 1 commit
- Continuing OpenCL implementation of GayBerneForce · 3250fb43
  peastman authored May 24, 2016
  
  3250fb43
20 May, 2016 2 commits
- Continuing OpenCL implementation of GayBerneForce · 522e133e
  peastman authored May 20, 2016
  
  522e133e
- Began creating OpenCL implementation of GayBerneForce · 69cab567
  peastman authored May 19, 2016
  
  69cab567
19 May, 2016 1 commit
- Fixed edge case with 2D and 3D continuous functions · ae5c9a1d
  Peter Eastman authored May 19, 2016
  
  ae5c9a1d
13 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · e1181999
  Peter Eastman authored May 13, 2016
  
  e1181999
11 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · fcbee6a5
  Peter Eastman authored May 11, 2016
  
  fcbee6a5
06 May, 2016 1 commit
- CPU GayBerneForce uses common neighbor list · 0e683e8d
  peastman authored May 05, 2016
  
  0e683e8d
05 May, 2016 3 commits
- CPU platform shares neighbor list between forces · 57812e24
  peastman authored May 05, 2016
  
  57812e24
- Optimization · 8f532e31
  peastman authored May 05, 2016
  
  8f532e31
- Changing box vectors does not change positions · 32ea2e9d
  Peter Eastman authored May 05, 2016
  
  32ea2e9d
03 May, 2016 2 commits
- Bug fix and optimization to CPU GayBerneForce · f854d108
  peastman authored May 03, 2016
  
  f854d108
- Parallelized CPU implementation of GayBerneForce · 3741c957
  peastman authored May 02, 2016
  
  3741c957
02 May, 2016 1 commit
- Created CPU implementation of GayBerneForce · 6c1d5eb1
  peastman authored May 02, 2016
  
  6c1d5eb1
29 Apr, 2016 2 commits
- Implemented switching function for GayBerneForce · e45f1f28
  peastman authored Apr 29, 2016
  
  e45f1f28
- Finished reference implementation of GayBerneForce · 505824d6
  peastman authored Apr 29, 2016
  
  505824d6