Commits · 08021b4efab1b7ff450226efb788d2d14e309e3a · tsoc / openmm

09 Jan, 2012 2 commits
- Fixed compilation error when using double precision for CustomIntegrator · f820e172
  Peter Eastman authored Jan 09, 2012
  
  f820e172
- Continuing to implement OpenCL CustomIntegrator: added position constraints,... · 9e4cf579
  Peter Eastman authored Jan 09, 2012
```
Continuing to implement OpenCL CustomIntegrator: added position constraints, and use double precision where possible
```
  9e4cf579
06 Jan, 2012 2 commits
- Continuing implementation of OpenCL CustomIntegrator · dc8625a0
  Peter Eastman authored Jan 06, 2012
  
  dc8625a0
- Beginnings of OpenCL implementation of CustomIntegrator · c7c13602
  Peter Eastman authored Jan 06, 2012
  
  c7c13602
13 Dec, 2011 2 commits
- Minor cleanup · c178e2c1
  Peter Eastman authored Dec 13, 2011
  
  c178e2c1
- Workarounds for bug in AMD compiler on Mac · 6bea0a80
  Peter Eastman authored Dec 13, 2011
  
  6bea0a80
12 Dec, 2011 3 commits
- Removed test Ewald/PME test for small systems · 8ae2a598
  Mark Friedrichs authored Dec 12, 2011
  
  8ae2a598
- Really(?) fixed illegal memory access · dacebfd3
  Peter Eastman authored Dec 12, 2011
  
  dacebfd3
- Fixed illegal memory access · 21804e95
  Peter Eastman authored Dec 12, 2011
  
  21804e95
01 Dec, 2011 1 commit
- Workaround for Nvidia compiler bug where compute level 1.2 processors try to... · b5009324
  Peter Eastman authored Dec 01, 2011
```
Workaround for Nvidia compiler bug where compute level 1.2 processors try to compile double precision code
```
  b5009324
29 Nov, 2011 2 commits
- Removed very small system tests · b5812780
  Mark Friedrichs authored Nov 29, 2011
  
  b5812780
- Workaround for bug on Lion that incorrectly reports the maximum workgroup size · 8e3be827
  Peter Eastman authored Nov 29, 2011
  
  8e3be827
28 Nov, 2011 1 commit
- Switched to a more accurate approximation for erfc() · 2586776f
  Peter Eastman authored Nov 28, 2011
  
  2586776f
23 Nov, 2011 2 commits
- Added copyright · 2b508482
  Mark Friedrichs authored Nov 23, 2011
```
Removed debugging code
```
  2b508482
- Edits to remove some VC9 warnings · 36762962
  Mark Friedrichs authored Nov 23, 2011
  
  36762962
17 Nov, 2011 1 commit
- Fixed bug in parallel nonbonded force · 1e2606ec
  Peter Eastman authored Nov 17, 2011
  
  1e2606ec
15 Nov, 2011 2 commits
- By default, use OpenCL instead of CUDA · b9c09b79
  Peter Eastman authored Nov 15, 2011
  
  b9c09b79
- Bug fix · 74e0ee22
  Peter Eastman authored Nov 15, 2011
  
  74e0ee22
12 Nov, 2011 1 commit
- Unit tests for nonbonded and GBSAOBC · c71f95bb
  Mark Friedrichs authored Nov 12, 2011
  
  c71f95bb
11 Nov, 2011 1 commit
- Workaround for compiler bug on Lion · 31748d0b
  Peter Eastman authored Nov 11, 2011
  
  31748d0b
10 Nov, 2011 2 commits
- Fixed lots of warnings and errors on Lion · 03a5288d
  Peter Eastman authored Nov 10, 2011
  
  03a5288d
- Fix for OBC Born sum · dbccf50f
  Mark Friedrichs authored Nov 10, 2011
  
  dbccf50f
08 Nov, 2011 2 commits
- Applied rev 3035 fix for OpenCL OBC Born to all code blocks · 9425210a
  Mark Friedrichs authored Nov 08, 2011
  
  9425210a
- Bug fixes for Nvidia OBC · b3dbaeaa
  Mark Friedrichs authored Nov 08, 2011
  
  b3dbaeaa
07 Nov, 2011 1 commit
- Fixed error in comment · e9f6e1bf
  Peter Eastman authored Nov 07, 2011
  
  e9f6e1bf
04 Nov, 2011 4 commits
- Fixed bugs in CPU version of PME · bc961dd3
  Peter Eastman authored Nov 04, 2011
  
  bc961dd3
- Fixed bugs in CPU version of FFT · cb388aca
  Peter Eastman authored Nov 04, 2011
  
  cb388aca
- Fixed bugs in CPU version of Custom GB · 52a6a366
  Peter Eastman authored Nov 04, 2011
  
  52a6a366
- Fixed bug in CPU version of GBSA · 600a7afa
  Peter Eastman authored Nov 04, 2011
  
  600a7afa
03 Nov, 2011 1 commit
- Added volatile keywords to work correctly with CUDA 4.1 · ad2d5c0a
  Peter Eastman authored Nov 03, 2011
  
  ad2d5c0a
02 Nov, 2011 3 commits
- Correction to the previous optimization · 5a946c29
  Peter Eastman authored Nov 02, 2011
  
  5a946c29
- Eliminated some duplicated work · 7e544edd
  Peter Eastman authored Nov 02, 2011
  
  7e544edd
- Fixed some incorrect argument indices · 63819881
  Peter Eastman authored Nov 02, 2011
  
  63819881
27 Oct, 2011 1 commit
- Added OpenCLPlatformIndex property for selecting platform · 6660be2f
  Peter Eastman authored Oct 27, 2011
  
  6660be2f
25 Oct, 2011 3 commits
- Workaround for crash on AMD GPUs · 028ad9d0
  Peter Eastman authored Oct 25, 2011
  
  028ad9d0
- Minor bug fix · 2cf8711f
  Peter Eastman authored Oct 25, 2011
  
  2cf8711f
- More changes from Tony to reduce local memory use · ce74c6ae
  Peter Eastman authored Oct 25, 2011
  
  ce74c6ae
18 Oct, 2011 1 commit
- Bug fixes to CustomGBForce · 906a0473
  Peter Eastman authored Oct 18, 2011
  
  906a0473
17 Oct, 2011 1 commit
- Minor optimizations to reorderAtoms() · 73369ddd
  Peter Eastman authored Oct 17, 2011
  
  73369ddd
15 Oct, 2011 1 commit
- Fixed some incorrect argument indices · b982b0e4
  Peter Eastman authored Oct 15, 2011
  
  b982b0e4