Commits · 84819edd026e35061a104f3745dec2668ab5c9cd · tsoc / openmm

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 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 2 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
01 Dec, 2009 1 commit
- Changed how plugin initialization is done to avoid initialization order problems · 32946009
  Peter Eastman authored Dec 01, 2009
  
  32946009
25 Nov, 2009 4 commits
- Hack particular gccxml location for one particular nightly build machine. · d9e73e43
  Christopher Bruns authored Nov 25, 2009
```
Incorporate Normal Mode Langevin openmm code from Chris Sweet as a plugin.  (compiles on windows, but no actual testing done)
```
  d9e73e43
- Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26
  Peter Eastman authored Nov 25, 2009
```
Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.
```
  cfcebe26
- Finished reference implementation of CustomGBForce · 3a6d79b3
  Peter Eastman authored Nov 25, 2009
  
  3a6d79b3
- Continuing implementation of CustomGBForce · 4747b0f2
  Peter Eastman authored Nov 25, 2009
  
  4747b0f2
24 Nov, 2009 1 commit
- Preliminary implementation of CustomGBForce · b5edab67
  Peter Eastman authored Nov 24, 2009
  
  b5edab67
19 Nov, 2009 5 commits
- Fixed compiler warnings · 6186c067
  Peter Eastman authored Nov 19, 2009
  
  6186c067
- Added a newline at the end of the file to make the compiler stop complaining · cd418100
  Peter Eastman authored Nov 19, 2009
  
  cd418100
- Fixed an overly strict tolerance in a test case · 87815e8c
  Peter Eastman authored Nov 19, 2009
  
  87815e8c
- Fixed compilation warnings under Windows · fa818ff9
  Peter Eastman authored Nov 19, 2009
  
  fa818ff9
- Implemented step function in custom expressions · 2f81944d
  Peter Eastman authored Nov 19, 2009
  
  2f81944d
18 Nov, 2009 10 commits
- Mods to get Free energy plugin libs to compile on Windows; still problem w/... · 98c26853
  Mark Friedrichs authored Nov 18, 2009
```
Mods to get Free energy plugin libs to compile on Windows; still problem w/ kCalculateLocalSoftcoreForces.cu
and hence OpenMMFreeEnergyCuda lib
```
  98c26853
- Reference platform no longer premultiplies charges by sqrt(1/4*pi*eps0). · cf7d9866
  Peter Eastman authored Nov 18, 2009
  
  cf7d9866
- Fixed some Valgrind warnings · a170606b
  Peter Eastman authored Nov 18, 2009
  
  a170606b
- Fixed compilation errors under Windows · 15899649
  Peter Eastman authored Nov 18, 2009
  
  15899649
- Custom forces in OpenCL platform support an unlimited number of parameters · 8a1641ff
  Peter Eastman authored Nov 18, 2009
  
  8a1641ff
- Clean up to remove warning · b321a758
  Mark Friedrichs authored Nov 18, 2009
  
  b321a758
- Mods for Windows · b8019839
  Mark Friedrichs authored Nov 18, 2009
  
  b8019839
- Mods to get rng to compile on Linux · 0d19a61c
  Mark Friedrichs authored Nov 18, 2009
  
  0d19a61c
- Mods to get rng to compile on Windows · 35daf780
  Mark Friedrichs authored Nov 18, 2009
  
  35daf780
- Change double to RealOpenMM to remove build warnings · c4b8ba2d
  Mark Friedrichs authored Nov 18, 2009
  
  c4b8ba2d