Commits · 208d5240a23157eedfc70f560012332616d1ab0d · tsoc / openmm

10 Feb, 2016 1 commit
- Fixed errors in CustomManyParticleForce · a7ce5784
  peastman authored Jan 22, 2016
  
  a7ce5784
05 Feb, 2016 1 commit
- Fixed another error in CustomIntegrator · c13a8697
  Peter Eastman authored Feb 05, 2016
  
  c13a8697
04 Feb, 2016 3 commits
- Fixed error in computing global variables · 5e6862fd
  Peter Eastman authored Feb 04, 2016
  
  5e6862fd
- Fixed compilation error in double precision mode · e726c909
  Peter Eastman authored Feb 04, 2016
  
  e726c909
- 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
19 Jan, 2016 1 commit
- Removed calls to cufftSetCompatibilityMode() · cb6a3298
  Peter Eastman authored Jan 19, 2016
  
  cb6a3298
15 Dec, 2015 1 commit
- Minor optimization · 2a02b6f1
  Peter Eastman authored Dec 15, 2015
  
  2a02b6f1
14 Dec, 2015 1 commit
- Bug fixes · 80d41381
  Peter Eastman authored Dec 14, 2015
  
  80d41381
11 Dec, 2015 1 commit
- Fixed error in energy computation · 86b2af14
  peastman authored Dec 11, 2015
  
  86b2af14
05 Nov, 2015 1 commit
- Fixed a race condition in energy computation · 5cb6ad03
  Peter Eastman authored Nov 05, 2015
  
  5cb6ad03
04 Nov, 2015 1 commit
- Finished implementing CompoundIntegrator · 5fa6fbc1
  Peter Eastman authored Nov 04, 2015
  
  5fa6fbc1
25 Oct, 2015 3 commits
- code review · eb5a680d
  Robert McGibbon authored Oct 25, 2015
  
  eb5a680d
- Update CudaContext.cpp · 4930cd8c
  Robert T. McGibbon authored Oct 25, 2015
  
  4930cd8c
- Ensure context can be created when selecting CUDA device · 43926c46
  Robert T. McGibbon authored Oct 23, 2015
```
This change is intended to improve the behavior when multiple
CUDA contexts are created on a node with multiple CUDA GPUs,
each of which is set to process-exclusive mode.
```
  43926c46
19 Oct, 2015 2 commits
- Update based on code review · b00edc8e
  Robert T. McGibbon authored Oct 19, 2015
  
  b00edc8e
- Fix for r=0 in periodicdistance · fd792ec1
  Robert T. McGibbon authored Oct 19, 2015
  
  fd792ec1
08 Oct, 2015 1 commit
- Added checks for nan coordinates in CUDA and OpenCL · dd5e8e8b
  Peter Eastman authored Oct 08, 2015
  
  dd5e8e8b
02 Oct, 2015 1 commit
- Further improved energy accuracy in mixed precision mode · 1f2b65da
  Peter Eastman authored Oct 02, 2015
  
  1f2b65da
21 Sep, 2015 1 commit
- Changes to generating nonbonded kernels · a47300e6
  Peter Eastman authored Sep 21, 2015
  
  a47300e6
18 Sep, 2015 2 commits
- Finished CUDA implementation of periodicdistance() · 91a8cc49
  Peter Eastman authored Sep 18, 2015
  
  91a8cc49
- Began CUDA implementation of periodicdistance() function for CustomExternalForce · 0b77ab91
  peastman authored Sep 18, 2015
  
  0b77ab91
09 Sep, 2015 2 commits
- Reenabled cuFFT on CUDA 7.5 or later · ec9cbc4b
  Peter Eastman authored Sep 09, 2015
  
  ec9cbc4b
- Fixed various bugs in CustomCentroidBondForce · 4a3f1743
  peastman authored Sep 09, 2015
  
  4a3f1743
04 Sep, 2015 1 commit
- Throw an exception if an illegal device or platform index is specified · d5f5193f
  peastman authored Sep 04, 2015
  
  d5f5193f
03 Sep, 2015 1 commit
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
02 Sep, 2015 3 commits
- Created OpenCL version of CustomCentroidBondForce · 7893f59a
  peastman authored Sep 02, 2015
  
  7893f59a
- Finished CUDA version of CustomCentroidBondForce · 5d9fc98b
  peastman authored Sep 02, 2015
  
  5d9fc98b
- Began CUDA version of CustomCentroidBondForce · 4d823b0a
  peastman authored Sep 02, 2015
  
  4d823b0a
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
20 Aug, 2015 1 commit
- Fixed an unnecessary exception in SETTLE code · 1342158e
  peastman authored Aug 20, 2015
  
  1342158e
10 Aug, 2015 1 commit
- Ensure neighbor list is large enough on first step · cb599d67
  Peter Eastman authored Aug 10, 2015
  
  cb599d67
03 Aug, 2015 1 commit
- Fixed segfault in AmoebaMultipoleForce · d33b232e
  peastman authored Aug 03, 2015
  
  d33b232e
29 Jul, 2015 2 commits
- Very minor optimizations · ef627240
  peastman authored Jul 29, 2015
  
  ef627240
- Optimizations to custom integrator · c744444a
  peastman authored Jul 29, 2015
  
  c744444a
24 Jul, 2015 2 commits
- Fixed potential compilation error in CUDA FFT · 3fd5e2c5
  Peter Eastman authored Jul 24, 2015
  
  3fd5e2c5
- Added missing Windows imports · 48c77012
  peastman authored Jul 24, 2015
  
  48c77012
20 Jul, 2015 1 commit
- Bug fix: merging two per-DOF steps could prevent global values from being propagated to the GPU · c114f2fe
  peastman authored Jul 20, 2015
  
  c114f2fe
16 Jul, 2015 1 commit
- CUDA CustomIntegrator supports if and while blocks · 506908ce
  peastman authored Jul 16, 2015
  
  506908ce