Commits · d0bf8a0fc4bd9b4e96b0855dd8b17e286c703c1c · tsoc / openmm

02 Feb, 2010 3 commits
- Updated to allow compilation in both float & double · d0bf8a0f
  Mark Friedrichs authored Feb 02, 2010
```
Code surrounding 'RealOpenMMType == 0' will be removed 
once confirmed free-energy plugin code does not break
```
  d0bf8a0f
- Created OpenCL implementation of CustomTorsionForce · a072c113
  Peter Eastman authored Feb 02, 2010
  
  a072c113
- Created CUDA implementation of CustomTorsionForce · 35c67140
  Peter Eastman authored Feb 02, 2010
  
  35c67140
30 Jan, 2010 2 commits
- Created CustomTorsionForce, including reference implementation · bce05131
  Peter Eastman authored Jan 30, 2010
  
  bce05131
- Created OpenCL version of CustomAngleForce · 4af689c5
  Peter Eastman authored Jan 30, 2010
  
  4af689c5
29 Jan, 2010 3 commits
- Yet another fix to nvcc flags · eac50971
  Peter Eastman authored Jan 29, 2010
  
  eac50971
- Created CUDA version of CustomAngleForce · 99aad671
  Peter Eastman authored Jan 29, 2010
  
  99aad671
- Created CustomAngleForce, including reference implementation · 881df1a5
  Peter Eastman authored Jan 29, 2010
  
  881df1a5
28 Jan, 2010 3 commits
- Fixed incorrect nvcc flags · db44ff57
  Peter Eastman authored Jan 28, 2010
  
  db44ff57
- Bug fix · 0cb87771
  Peter Eastman authored Jan 28, 2010
  
  0cb87771
- Changed default nvcc flags to support compute level 2.0 · e8566500
  Peter Eastman authored Jan 28, 2010
  
  e8566500
27 Jan, 2010 2 commits
- Fixed thread synchronization bug · 9c1a2669
  Peter Eastman authored Jan 27, 2010
  
  9c1a2669
- Fixed thread synchronization bug · a5e3869f
  Peter Eastman authored Jan 27, 2010
  
  a5e3869f
26 Jan, 2010 1 commit
- Implemented PME for OpenCL platform · b1a22214
  Peter Eastman authored Jan 26, 2010
  
  b1a22214
20 Jan, 2010 1 commit
- Created OpenCL sorting algorithm · 6c542539
  Peter Eastman authored Jan 20, 2010
  
  6c542539
19 Jan, 2010 3 commits
- Fixed a compilation error caused by another recent CMake change · f2f29595
  Peter Eastman authored Jan 19, 2010
  
  f2f29595
- Preemptively added OPENMM_EXPORT to registerPlatforms() declaration of OpenCL platform, for the · 7c26b1c1
  Christopher Bruns authored Jan 19, 2010
```
day when we try it on Windows.
Added "-isysroot /Developer/SDKs/MacOSX10.5.sdk -mmacosx-version-min=10.5" to Mac compile flags,
to possibly help run on Leopard.
```
  7c26b1c1
- Chris begged me to check this in, so this adds the missing OPENMM_EXPORT to... · 338729a9
  Michael Sherman authored Jan 19, 2010
```
Chris begged me to check this in, so this adds the missing OPENMM_EXPORT to the Cuda platform's registerPlatforms method.
```
  338729a9
16 Jan, 2010 1 commit
- Fixed compilation error under Windows · 3f11ad2c
  Peter Eastman authored Jan 16, 2010
  
  3f11ad2c
14 Jan, 2010 1 commit
- Added computation of average relative delta · 390b73ff
  Mark Friedrichs authored Jan 14, 2010
  
  390b73ff
13 Jan, 2010 6 commits
- Another attempt at getting device selection to work correctly on all platforms · 7c35e413
  Peter Eastman authored Jan 13, 2010
  
  7c35e413
- Don't test for interaction flags on platforms where we don't use them. · ebfcfe24
  Peter Eastman authored Jan 13, 2010
  
  ebfcfe24
- Fixed a compilation error under Linux · dec115db
  Peter Eastman authored Jan 13, 2010
  
  dec115db
- cudaThreadExit() was not being called, which caused failures on some platforms · a163706b
  Peter Eastman authored Jan 13, 2010
  
  a163706b
- Remove unused methods · 030ef272
  Mark Friedrichs authored Jan 13, 2010
  
  030ef272
- Fixed an incorrect hardcoded path. · 074f6b36
  Peter Eastman authored Jan 13, 2010
  
  074f6b36
12 Jan, 2010 5 commits
- Throw an exception if the user tries to use PME on OpenCL · 3f315a11
  Peter Eastman authored Jan 12, 2010
  
  3f315a11
- Removed Brook platform · 6ccf6169
  Peter Eastman authored Jan 12, 2010
  
  6ccf6169
- Added average delta to output · 82e0bd2f
  Mark Friedrichs authored Jan 12, 2010
  
  82e0bd2f
- OpenCL kernels are now stored into a C++ class at build time rather than... · 6bbef600
  Peter Eastman authored Jan 12, 2010
```
OpenCL kernels are now stored into a C++ class at build time rather than installing them as text files.
```
  6bbef600
- Fix for calculation of RB angle · f38f956d
  Mark Friedrichs authored Jan 12, 2010
  
  f38f956d
09 Jan, 2010 2 commits
- Can't use 'cross' as a variable name since that is a builtin function name · 172d41e5
  Mike Houston authored Jan 09, 2010
  
  172d41e5
- Add updated platform support for the Khronos approved ICD model so AMD and... · 211042a9
  Mike Houston authored Jan 09, 2010
```
Add updated platform support for the Khronos approved ICD model so AMD and newer Nvidia drivers on Windows/Linux will work.  Haven't tested Apple
```
  211042a9
06 Jan, 2010 1 commit
- Fixed compilation warnings under Windows · a39126ab
  Peter Eastman authored Jan 06, 2010
  
  a39126ab
05 Jan, 2010 2 commits
- Fixed compilation warnings under Windows · 53539843
  Peter Eastman authored Jan 05, 2010
  
  53539843
- erf() and erfc() can appear in expressions · 5c24a611
  Peter Eastman authored Jan 05, 2010
  
  5c24a611
04 Jan, 2010 1 commit
- Fixed bugs in OpenCL CustomGBForce · 8af0ac1c
  Peter Eastman authored Jan 04, 2010
  
  8af0ac1c
23 Dec, 2009 1 commit
- Fixed compilation errors under Windows · bd9b78ba
  Peter Eastman authored Dec 23, 2009
  
  bd9b78ba
22 Dec, 2009 1 commit
- Patched large memory leak in Context cleanup for OpenCL platform. · 84819edd
  John Chodera authored Dec 22, 2009
  
  84819edd
19 Dec, 2009 1 commit
- Created non-Nvidia-specific kernels for CustomGBForce (not yet fully debugged) · 985da46e
  Peter Eastman authored Dec 19, 2009
  
  985da46e