Commits · f38f956dbeb64b8de703b22180be5152f840409e · tsoc / openmm

12 Jan, 2010 1 commit
- 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
07 Jan, 2010 1 commit
- Updated Users Guide for version 1.0. · 4a6d5537
  Peter Eastman authored Jan 07, 2010
  
  4a6d5537
06 Jan, 2010 2 commits
- Updated Doxygen comments to specify units in a more consistent way · d8d70750
  Peter Eastman authored Jan 06, 2010
  
  d8d70750
- Fixed compilation warnings under Windows · a39126ab
  Peter Eastman authored Jan 06, 2010
  
  a39126ab
05 Jan, 2010 4 commits
- Fixed compilation warnings under Windows · 53539843
  Peter Eastman authored Jan 05, 2010
  
  53539843
- Updated doxygen comments to reflect that erf() and erfc() can appear in expressions · c553fe60
  Peter Eastman authored Jan 05, 2010
  
  c553fe60
- Improvements to Doxygen generation · a46c15a3
  Peter Eastman authored Jan 05, 2010
  
  a46c15a3
- 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 4 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
- Fixed memory errors reported by Valgrind · c5c8abd2
  Peter Eastman authored Dec 18, 2009
  
  c5c8abd2
- 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
16 Dec, 2009 1 commit
- Fixed uninitialized value problem with setting box vectors. This caused... · d21bf41a
  John Chodera authored Dec 16, 2009
```
Fixed uninitialized value problem with setting box vectors.  This caused sporadic multithreading issues on Linux platforms.
```
  d21bf41a
15 Dec, 2009 2 commits
- Improved accuracy of torsions for small angles in CUDA and OpenCL platforms · 1e216bbc
  Peter Eastman authored Dec 15, 2009
  
  1e216bbc
- Default to build OpenCL only on Mac for now · 7d70c829
  Christopher Bruns authored Dec 15, 2009
  
  7d70c829
11 Dec, 2009 5 commits
- Fixed bug in wrapping references to enumerations · 38f8b69a
  Peter Eastman authored Dec 11, 2009
  
  38f8b69a
- 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
- Fixed errors in API wrapper generation · 15a92011
  Peter Eastman authored Dec 11, 2009
  
  15a92011
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 2 commits
- Increased the allowed size of custom expressions. Also fixed one failing test case. · bed943bd
  Peter Eastman authored Dec 09, 2009
  
  bed943bd
- Continuing OpenCL implementation of CustomGBForce · 7eec4930
  Peter Eastman authored Dec 09, 2009
  
  7eec4930
08 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 9ed2c870
  Peter Eastman authored Dec 08, 2009
  
  9ed2c870
05 Dec, 2009 3 commits
- Continuing OpenCL implementation of CustomGBForce · a966a981
  Peter Eastman authored Dec 05, 2009
  
  a966a981
- Beginnings of OpenCL implementation of CustomGBForce · 51fc3bd2
  Peter Eastman authored Dec 05, 2009
  
  51fc3bd2
- Bug fix · 7ded64ba
  Peter Eastman authored Dec 05, 2009
  
  7ded64ba
04 Dec, 2009 3 commits
- Edits to address potential thread-safety issues: · b0e45e86
  Mark Friedrichs authored Dec 04, 2009
```
Removed static variables in CudaFreeEnergyKernels.cpp
Moved declaration of global feSim to within method where actually used  in kCalculateNonbondedSoftcore.cu
```
  b0e45e86
- Don't automatically build API wrappers if cmake version is 2.4 · ab675f48
  Christopher Bruns authored Dec 04, 2009
  
  ab675f48
- windows export macro on ReferenceFreeEnergyKernelFactory, to avoid link error... · 608dad3d
  Christopher Bruns authored Dec 04, 2009
```
windows export macro on ReferenceFreeEnergyKernelFactory, to avoid link error on TestReferenceGBVISoftcoreForce
```
  608dad3d