Commits · b1a2221493b2563ec2d3351adc1e39c7b67a0cb6 · tsoc / openmm

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
18 Dec, 2009 3 commits
- Fixed problems finding OpenCL location · d837b440
  Peter Eastman authored Dec 18, 2009
  
  d837b440
- Fixed compilation warnings on Windows · 48acdae0
  Peter Eastman authored Dec 18, 2009
  
  48acdae0
- Bug fixes · 3e0925fe
  Peter Eastman authored Dec 18, 2009
  
  3e0925fe
17 Dec, 2009 2 commits
- Completed OpenCL FFT · 8316aba0
  Peter Eastman authored Dec 17, 2009
  
  8316aba0
- Implementing FFT for OpenCL · 7901ce20
  Peter Eastman authored Dec 17, 2009
  
  7901ce20
15 Dec, 2009 1 commit
- Improved accuracy of torsions for small angles in CUDA and OpenCL platforms · 1e216bbc
  Peter Eastman authored Dec 15, 2009
  
  1e216bbc
11 Dec, 2009 3 commits
- Use a consistent (and more accurate) value for electric constant everywhere. ... · 042ab1aa
  Peter Eastman authored Dec 11, 2009
```
Use a consistent (and more accurate) value for electric constant everywhere.  Also cleaned up handling of constants and units in various places.
```
  042ab1aa
- Fixed compilation warnings on Windows · 2f921936
  Peter Eastman authored Dec 11, 2009
  
  2f921936
- Hopefully improved the accuracy of torsion calculations · 3f248310
  Peter Eastman authored Dec 11, 2009
  
  3f248310
10 Dec, 2009 3 commits
- Optimizations to expression processing in CustomGBForce · 803b8678
  Peter Eastman authored Dec 10, 2009
  
  803b8678
- Fixed bugs in OpenCL implementation of CustomGBForce · f11a6aea
  Peter Eastman authored Dec 10, 2009
  
  f11a6aea
- Continuing OpenCL implementation of CustomGBForce · 09777f85
  Peter Eastman authored Dec 10, 2009
  
  09777f85
09 Dec, 2009 1 commit
- Increased the allowed size of custom expressions. Also fixed one failing test case. · bed943bd
  Peter Eastman authored Dec 09, 2009
  
  bed943bd