Commits · 122c84d29e8172f0e3a780268ccf08c2759ff4f9 · tsoc / openmm

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29 May, 2018 1 commit
- Support multiple NonbondedForces in one System · 122c84d2
  peastman authored May 29, 2018
  
  122c84d2
09 May, 2018 1 commit
- Bug fixes to vector expressions · fdc59e96
  Peter Eastman authored May 09, 2018
  
  fdc59e96
04 May, 2018 1 commit
- CUDA implementation of vector functions for CustomIntegrator · 4c28df55
  Peter Eastman authored May 04, 2018
  
  4c28df55
03 May, 2018 1 commit
- Minor optimizations · f3c55c28
  peastman authored May 03, 2018
  
  f3c55c28
25 Apr, 2018 1 commit
- Added missing synchronization · f1bbb8e7
  peastman authored Apr 25, 2018
  
  f1bbb8e7
20 Apr, 2018 2 commits
- Fixed incorrect synchronization on Volta for OpenCL · 8a42f4f6
  peastman authored Apr 20, 2018
  
  8a42f4f6
- Fixed incorrect synchronization on Volta · 9f92ae40
  peastman authored Apr 20, 2018
  
  9f92ae40
15 Mar, 2018 1 commit
- Bug fixes · 2df35b4e
  peastman authored Mar 14, 2018
  
  2df35b4e
12 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in CUDA · 7639d0bd
  Peter Eastman authored Mar 12, 2018
  
  7639d0bd
07 Feb, 2018 1 commit
- Fixed race condition · de666e30
  peastman authored Feb 07, 2018
  
  de666e30
02 Feb, 2018 1 commit
- Optimization to charge spreading · f2e734dc
  Peter Eastman authored Feb 02, 2018
  
  f2e734dc
24 Jan, 2018 2 commits
- Optimizations to RMSDForce · 56b199be
  Peter Eastman authored Jan 24, 2018
  
  56b199be
- CUDA implementation of RMSDForce · f4dc3110
  Peter Eastman authored Jan 24, 2018
  
  f4dc3110
21 Sep, 2017 1 commit
- Replace __ballot() with __ballot_sync() · df95e2d6
  peastman authored Sep 21, 2017
  
  df95e2d6
15 Sep, 2017 1 commit
- Beginnings of volta support · 0221ee14
  Peter Eastman authored Sep 15, 2017
  
  0221ee14
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
19 Jun, 2017 1 commit
- Sum energy on the GPU · 711c3a5a
  Peter Eastman authored Jun 19, 2017
  
  711c3a5a
16 Jun, 2017 1 commit
- CUDA implementation of CustomCVForce · f995aceb
  Peter Eastman authored Jun 16, 2017
  
  f995aceb
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
15 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for CUDA · 2a1e9acf
  Peter Eastman authored Feb 15, 2017
  
  2a1e9acf
08 Feb, 2017 1 commit
- Created OpenCL implementation of dispersion PME · 5ef1d4eb
  Peter Eastman authored Feb 08, 2017
  
  5ef1d4eb
07 Feb, 2017 1 commit
- Bug fixes · edfcdec3
  Peter Eastman authored Feb 07, 2017
  
  edfcdec3
26 Jan, 2017 1 commit
- Fixes to dispersion PME · c274f08d
  Peter Eastman authored Jan 26, 2017
  
  c274f08d
25 Jan, 2017 1 commit
- Reduced duplication in the code for Coulomb and LJ PME · f7a102fb
  Peter Eastman authored Jan 25, 2017
  
  f7a102fb
24 Jan, 2017 1 commit
- Cleanup to CUDA dispersion PME code · dbcc494f
  Peter Eastman authored Jan 24, 2017
  
  dbcc494f
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
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 computing neighbor list · 556dddb6
  Peter Eastman authored Oct 18, 2016
  
  556dddb6
13 Oct, 2016 2 commits
- Fixed bug computing energies without forces · 1ded9a60
  Peter Eastman authored Oct 13, 2016
  
  1ded9a60
- Further improvements to pair list · 7c911459
  Peter Eastman authored Oct 13, 2016
  
  7c911459
22 Sep, 2016 1 commit
- Improvements to fine grained pair list · 9650d66e
  Peter Eastman authored Sep 22, 2016
  
  9650d66e
14 Sep, 2016 1 commit
- Beginning of implementing fine grained pair list · 5fa4345f
  Peter Eastman authored Sep 14, 2016
  
  5fa4345f