Commits · abbb36717d9b6f012baa18fced0750f2facc840c · tsoc / openmm

15 Mar, 2018 2 commits
- Optimized initializing interaction groups · e7da5c7b
  peastman authored Mar 15, 2018
  
  e7da5c7b
- Bug fixes · 2df35b4e
  peastman authored Mar 14, 2018
  
  2df35b4e
13 Mar, 2018 4 commits
- Attempt at fixing compilation error on CPU OpenCL · eb932433
  peastman authored Mar 13, 2018
  
  eb932433
- Fixed uninitialized memory · 98b4d1b7
  peastman authored Mar 13, 2018
  
  98b4d1b7
- Bug fix to switching function when not computing energy · 5cb31cfa
  peastman authored Mar 13, 2018
  
  5cb31cfa
- Optimized finding duplicate interactions in interaction groups · e4653fb7
  peastman authored Mar 13, 2018
  
  e4653fb7
12 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in CUDA · 7639d0bd
  Peter Eastman authored Mar 12, 2018
  
  7639d0bd
10 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in OpenCL · fb0cc5e7
  peastman authored Mar 09, 2018
  
  fb0cc5e7
16 Feb, 2018 1 commit
- Yet more Windows fixes · c75dba47
  peastman authored Feb 16, 2018
  
  c75dba47
15 Feb, 2018 2 commits
- Another Windows fix · 1082edbc
  peastman authored Feb 15, 2018
  
  1082edbc
- Fixed compilation error on Windows · fe339675
  peastman authored Feb 15, 2018
  
  fe339675
14 Feb, 2018 2 commits
- Finished converting CudaArrays. · 372f1724
  Peter Eastman authored Feb 14, 2018
  
  372f1724
- Continuing to convert CudaArrays. · f15f591b
  Peter Eastman authored Feb 14, 2018
  
  f15f591b
12 Feb, 2018 1 commit
- Began converting CudaArrays. · b8c86406
  Peter Eastman authored Feb 12, 2018
  
  b8c86406
09 Feb, 2018 1 commit
- More conversion of OpenCLArrays · b33ee3b0
  peastman authored Feb 08, 2018
  
  b33ee3b0
08 Feb, 2018 1 commit
- Convert OpenCLArray to use RAII · d59b0373
  peastman authored Feb 08, 2018
  
  d59b0373
07 Feb, 2018 2 commits
- Fixed race condition · de666e30
  peastman authored Feb 07, 2018
  
  de666e30
- Fixed compilation error in kernel · b849c856
  peastman authored Feb 07, 2018
  
  b849c856
06 Feb, 2018 1 commit
- Include PME optimization for OpenCL on CPU · a3a17da1
  peastman authored Feb 06, 2018
  
  a3a17da1
02 Feb, 2018 2 commits
- Added missing Windows exports · 1831e58d
  Peter Eastman authored Feb 02, 2018
  
  1831e58d
- Optimization to charge spreading · f2e734dc
  Peter Eastman authored Feb 02, 2018
  
  f2e734dc
24 Jan, 2018 3 commits
- Optimizations to RMSDForce · 56b199be
  Peter Eastman authored Jan 24, 2018
  
  56b199be
- CUDA implementation of RMSDForce · f4dc3110
  Peter Eastman authored Jan 24, 2018
  
  f4dc3110
- More robust against numerical error · 2855d12e
  Peter Eastman authored Jan 24, 2018
  
  2855d12e
23 Jan, 2018 2 commits
- Fixed problems related to RMSDForce · 9701ed09
  Peter Eastman authored Jan 23, 2018
  
  9701ed09
- OpenCL implementation of RMSDForce · 6e29cb3f
  peastman authored Jan 23, 2018
  
  6e29cb3f
22 Jan, 2018 1 commit
- Created RMSD force and reference implementation · dcd63214
  peastman authored Jan 22, 2018
  
  dcd63214
07 Nov, 2017 1 commit
- Fixed error using CUDA 8.0 toolkit with 9.0 driver · 820acd5f
  Peter Eastman authored Nov 07, 2017
  
  820acd5f
03 Nov, 2017 1 commit
- Fixed a segfault · 0fc3a50a
  peastman authored Nov 03, 2017
  
  0fc3a50a
21 Sep, 2017 2 commits
- Removed debugging code · e28c6947
  peastman authored Sep 21, 2017
  
  e28c6947
- Replace __ballot() with __ballot_sync() · df95e2d6
  peastman authored Sep 21, 2017
  
  df95e2d6
16 Sep, 2017 1 commit
- removed unused line · 45710f2f
  Stefan Doerr authored Sep 16, 2017
  
  45710f2f
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
01 Sep, 2017 1 commit
- Change to work correctly on volta · 970cffa2
  peastman authored Sep 01, 2017
  
  970cffa2
24 Aug, 2017 1 commit
- Bug fix to finding identical molecules · f5da3b69
  peastman authored Aug 24, 2017
  
  f5da3b69
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
14 Jul, 2017 1 commit
- API and reference implementation of LocalCoordinatesSite depending on arbitrary particles · 26809372
  peastman authored Jul 14, 2017
  
  26809372
03 Jul, 2017 1 commit
- CustomIntegrator avoids extra force computations when UpdateContextState doesn't change them · 717df453
  peastman authored Jul 03, 2017
  
  717df453