Commits · a4d327f5719206a48e5dd5cb1f6fe8436667fc73 · tsoc / openmm

05 May, 2016 1 commit
- Changing box vectors does not change positions · 32ea2e9d
  Peter Eastman authored May 05, 2016
  
  32ea2e9d
22 Apr, 2016 1 commit
- Minor code cleanup · cc4caaba
  Peter Eastman authored Apr 22, 2016
  
  cc4caaba
21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
19 Apr, 2016 1 commit
- Fixed error in Continuous3DFunction on CUDA and OpenCL · f091f8b7
  Peter Eastman authored Apr 19, 2016
  
  f091f8b7
12 Apr, 2016 1 commit
- OpenCL and CUDA implementation of periodic boundary conditions for bonded forces · 00c22e34
  Peter Eastman authored Apr 12, 2016
  
  00c22e34
30 Mar, 2016 1 commit
- Fixed an error in the earlier fix for tabulated functions with interaction groups · 2653817d
  Peter Eastman authored Mar 30, 2016
  
  2653817d
29 Mar, 2016 1 commit
- Added property to request deterministic forces · cddeb60f
  Peter Eastman authored Mar 28, 2016
  
  cddeb60f
28 Mar, 2016 1 commit
- Fixed bug using tabulated functions with interaction groups · 52ed82ec
  Peter Eastman authored Mar 28, 2016
  
  52ed82ec
17 Mar, 2016 1 commit
- Renamed enums that caused Fortran compiler errors · 1647f1e9
  peastman authored Mar 17, 2016
  
  1647f1e9
26 Feb, 2016 1 commit
- Part of the Ewald energy was being returned even when that force group wasn't requested · 34b7e213
  Peter Eastman authored Feb 26, 2016
  
  34b7e213
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 Jan, 2016 1 commit
- Loading a checkpoint marks that positions have been set · 2f5bb780
  Peter Eastman authored Jan 14, 2016
  
  2f5bb780
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
30 Sep, 2015 1 commit
- Don't try to build tests if BUILD_TESTING is off · 29137fd3
  Peter Eastman authored Sep 30, 2015
  
  29137fd3
23 Sep, 2015 3 commits
- Fixed compilation error on Windows · 97f5e611
  Peter Eastman authored Sep 23, 2015
  
  97f5e611
- Finished refactoring test cases · 8b5d3dc0
  Peter Eastman authored Sep 23, 2015
  
  8b5d3dc0
- Continuing to refactor tests · 2f553a66
  Peter Eastman authored Sep 23, 2015
  
  2f553a66
22 Sep, 2015 2 commits
- Continuing to refactor tests · 4ed151e1
  Peter Eastman authored Sep 22, 2015
  
  4ed151e1
- Continuing to refactor tests · ccd811da
  Peter Eastman authored Sep 22, 2015
  
  ccd811da
21 Sep, 2015 2 commits
- Changes to generating nonbonded kernels · a47300e6
  Peter Eastman authored Sep 21, 2015
  
  a47300e6
- Began refactoring of tests to eliminate duplicated code · a5a52dd1
  Peter Eastman authored Sep 21, 2015
  
  a5a52dd1
18 Sep, 2015 1 commit
- Finished CUDA implementation of periodicdistance() · 91a8cc49
  Peter Eastman authored Sep 18, 2015
  
  91a8cc49