Commits · 3631f893639fea8483aa5cd9b22e1b00807b3e5d · tsoc / openmm

15 Jan, 2010 1 commit
- Updated Tables 8.3 and 8.4 · 3631f893
  Mark Friedrichs authored Jan 15, 2010
  
  3631f893
14 Jan, 2010 5 commits
- Added tips for building from source on Snow Leopard Macs · 36e64c6f
  Christopher Bruns authored Jan 14, 2010
  
  36e64c6f
- Redid GBVI equations; redid Table 8.1 · 54036057
  Mark Friedrichs authored Jan 14, 2010
  
  54036057
- Added computation of average relative delta · 390b73ff
  Mark Friedrichs authored Jan 14, 2010
  
  390b73ff
- Updated manual for Lepton 1.1. · 347c5d89
  Peter Eastman authored Jan 14, 2010
  
  347c5d89
- Minor additions and corrections to the manual · 1e8f150f
  Peter Eastman authored Jan 14, 2010
  
  1e8f150f
13 Jan, 2010 9 commits
- Updated Validation Section and added GBVI theory section · cc859960
  Mark Friedrichs authored Jan 13, 2010
  
  cc859960
- 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
- Rename Obc force to be consistent w/ manual name · 1980f05f
  Mark Friedrichs authored Jan 13, 2010
  
  1980f05f
- Incorporate apple-specific OpenCL include directory from the other... · 199e3e35
  Christopher Bruns authored Jan 13, 2010
```
Incorporate apple-specific OpenCL include directory from the other FindOpenCL.cmake in the platforms/opencl CMakeLists.txt file.
TODO - in future use only one FindOpenCL.cmake file.
```
  199e3e35
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
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