Commits · 83ed602e8dbe5ab8be7bfd533abc3f8dc67b1ad8 · tsoc / openmm

06 Feb, 2015 1 commit
- Bug fixes to triclinic boxes · 050e1262
  Peter Eastman authored Feb 05, 2015
  
  050e1262
20 Jan, 2015 1 commit
- Check for nan positions was being done incorrectly · f75bf1bd
  peastman authored Jan 20, 2015
  
  f75bf1bd
17 Jan, 2015 1 commit
- Variable step size integrators were scaling the step size incorrectly · bd01a379
  peastman authored Jan 16, 2015
  
  bd01a379
15 Jan, 2015 1 commit
- Catch nan coordinates before they can produce a segfault · 7dc2ff9e
  peastman authored Jan 15, 2015
  
  7dc2ff9e
14 Jan, 2015 1 commit
- Removed some unneeded code · 3b2579a5
  Peter Eastman authored Jan 14, 2015
  
  3b2579a5
12 Jan, 2015 2 commits
- Updated test cases to catch a bug that was just fixed · 5ae844b2
  peastman authored Jan 12, 2015
  
  5ae844b2
- Fixed bug in reference CustomCompoundBondForce · 29856d18
  peastman authored Jan 12, 2015
  
  29856d18
10 Jan, 2015 1 commit
- Change comments so that it does not reference generating seeds from the clock. · d422c306
  Jason Swails authored Jan 10, 2015
  
  d422c306
09 Jan, 2015 2 commits

Fix an include. · 118aab89
Jason Swails authored Jan 09, 2015

118aab89

Convert a random seed set to 0 into one based on the wall clock in more places. · 601a696f

Jason Swails authored Jan 09, 2015

This commit hits the CPU platform (I had previously thought it just used the
Reference generator) as well as the CustomIntegrator stream that is set
separately from the standard "integrator" stream attached to each platform for
CUDA and OpenCL platforms (it seemed to me that the Reference platform's
CustomIntegrator just used the integrator random stream).

601a696f

08 Jan, 2015 2 commits
- Adjusted the tolerance on a test that was failing on some computers · 38acdd6e
  Peter Eastman authored Jan 08, 2015
  
  38acdd6e
- OpenCL supports PME with triclinic boxes · 295ae001
  Peter Eastman authored Jan 07, 2015
  
  295ae001
07 Jan, 2015 3 commits
- Continuing OpenCL support for triclinic boxes · 9bcba51e
  Peter Eastman authored Jan 07, 2015
  
  9bcba51e
- Began implementing OpenCL support for triclinic boxes · 195bcecf
  Peter Eastman authored Jan 07, 2015
  
  195bcecf
- Fixed some methods that should have been marked const · 17c06daa
  Peter Eastman authored Jan 07, 2015
  
  17c06daa
06 Jan, 2015 2 commits
- CUDA support for PME with triclinic boxes · e7eb7852
  Peter Eastman authored Jan 06, 2015
  
  e7eb7852
- Continuing to implement CUDA support for triclinic boxes · 6eb302fb
  Peter Eastman authored Jan 05, 2015
  
  6eb302fb
05 Jan, 2015 2 commits
- Beginning of CUDA support for triclinic boxes · 61458a5f
  Peter Eastman authored Jan 05, 2015
  
  61458a5f
- Attempt to move the implementation of separate osrngseed() calls for each · e04a7368
  Jason Swails authored Jan 05, 2015
```
Context into the platform rather than hacked into getRandomNumberSeed...

Someone please check this.
```
  e04a7368
03 Jan, 2015 1 commit
- Changes to bring in line with SimTK style guide. · b8f6d269
  Jason Swails authored Jan 02, 2015
  
  b8f6d269
30 Dec, 2014 3 commits
- thermstat -> thermostat · ab82c962
  Jason Swails authored Dec 30, 2014
  
  ab82c962
- Update the tests of the classes I just updated. · ba37b26b
  Jason Swails authored Dec 30, 2014
  
  ba37b26b
- Add tests for the new usesPeriodicBoundaryConditions API function to the · 31d0d857
  Jason Swails authored Dec 30, 2014
```
Reference platform.
```
  31d0d857
19 Dec, 2014 2 commits
- Use templates to improve performance when not using triclinic boxes · b3bab499
  peastman authored Dec 19, 2014
  
  b3bab499
- CPU PME works with triclinic boxes · f6aae604
  peastman authored Dec 18, 2014
  
  f6aae604
17 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in CPU platform · 78e5f13a
  peastman authored Dec 16, 2014
  
  78e5f13a
16 Dec, 2014 1 commit
- CpuNeighborList correctly handles triclinic boxes · 4193a416
  peastman authored Dec 16, 2014
  
  4193a416
11 Dec, 2014 1 commit
- ReferenceNeighborList correctly handles triclinic boxes · 34ddae96
  peastman authored Dec 11, 2014
  
  34ddae96
10 Dec, 2014 1 commit
- Began implementing triclinic boxes for CPU platform · 4b6f53e5
  peastman authored Dec 10, 2014
  
  4b6f53e5
09 Dec, 2014 1 commit
- Implemented PME for triclinic boxes in reference platform · 9c6011f8
  peastman authored Dec 09, 2014
  
  9c6011f8
04 Dec, 2014 1 commit
- Disable PME stream on old versions of cufft · 2c68f67a
  peastman authored Dec 04, 2014
  
  2c68f67a
03 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in reference platform · 9e2b5a12
  peastman authored Dec 02, 2014
  
  9e2b5a12
02 Dec, 2014 1 commit
- Began implementing triclinic boxes in reference platform · e2977b91
  peastman authored Dec 02, 2014
  
  e2977b91
26 Nov, 2014 3 commits
- Fixed line endings · a55b34ee
  peastman authored Nov 26, 2014
  
  a55b34ee
- Workaround for compiler bug in Visual Studio · 4b5f48ee
  peastman authored Nov 26, 2014
  
  4b5f48ee
- Prevent running tests on unsupported CPUs · 59484a6f
  peastman authored Nov 25, 2014
  
  59484a6f
18 Nov, 2014 2 commits
- Workaround for CUDA bug · 7bbf9331
  peastman authored Nov 18, 2014
  
  7bbf9331
- Added error codes from CUDA 5.0 · 285a12db
  peastman authored Nov 18, 2014
  
  285a12db
14 Nov, 2014 1 commit
- Minor optimization to sorting · 4c0621ed
  Peter Eastman authored Nov 14, 2014
  
  4c0621ed
10 Nov, 2014 1 commit
- Fixed a bug in neighbor list construction · d5666536
  peastman authored Nov 10, 2014
  
  d5666536