Commits · 06a20544054b5205277b3aa899ea570111d299b3 · tsoc / openmm

14 Apr, 2010 2 commits
- OpenCL version of CustomHbondForce now supports exclusions · e706d710
  Peter Eastman authored Apr 14, 2010
  
  e706d710
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
08 Apr, 2010 1 commit
- Optimization: reduced the number of thread blocks · fac4150f
  Peter Eastman authored Apr 08, 2010
  
  fac4150f
07 Apr, 2010 2 commits
- Added newlines to eliminate compiler warnings · e360f3fd
  Peter Eastman authored Apr 07, 2010
  
  e360f3fd
- Fixed threading bug in PME · 066cfd60
  Peter Eastman authored Apr 07, 2010
  
  066cfd60
06 Apr, 2010 2 commits
- Bug fix · d6ad6438
  Peter Eastman authored Apr 06, 2010
  
  d6ad6438
- Bug fix · 536ebaf7
  Peter Eastman authored Apr 06, 2010
  
  536ebaf7
05 Apr, 2010 1 commit
- Bug fix on ATI processors · aeb5dc66
  Peter Eastman authored Apr 05, 2010
  
  aeb5dc66
01 Apr, 2010 1 commit

All platforms now handle nonbonded exceptions in a consistent way (they ignore... · b97ff259

Peter Eastman authored Apr 01, 2010

All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions).  Also started OpenCL implementation of CustomHbondForce.

b97ff259

30 Mar, 2010 2 commits
- Fixed compilation errors under AMD's OpenCL · 8868141e
  Peter Eastman authored Mar 30, 2010
  
  8868141e
- Fixed bug processing exclusions with Ewald (bug 1085) · 7482534e
  Peter Eastman authored Mar 30, 2010
  
  7482534e
26 Mar, 2010 1 commit
- Bug fix · 26721ca2
  Peter Eastman authored Mar 26, 2010
  
  26721ca2
05 Mar, 2010 1 commit
- Increased number of thread blocks · 45c23132
  Peter Eastman authored Mar 05, 2010
  
  45c23132
04 Mar, 2010 1 commit
- Bug fixes · 00b5aa4d
  Peter Eastman authored Mar 04, 2010
  
  00b5aa4d
03 Mar, 2010 1 commit
- Bug fix: fields were not being initialized · cdec19f9
  Peter Eastman authored Mar 03, 2010
  
  cdec19f9
11 Feb, 2010 1 commit
- Test cases which may occasionally fail say so in the error message. · 16ea7c75
  Peter Eastman authored Feb 11, 2010
  
  16ea7c75
10 Feb, 2010 2 commits
- Added an include that was required by some compilers · 7443ceac
  Peter Eastman authored Feb 10, 2010
  
  7443ceac
- BrownianIntegrator scales the friction coefficient by the mass · a34610da
  Peter Eastman authored Feb 10, 2010
  
  a34610da
06 Feb, 2010 2 commits
- Increased the tolerance on two tests that started failing when we switched the... · 82554f15
  Peter Eastman authored Feb 06, 2010
```
Increased the tolerance on two tests that started failing when we switched the reference platform to double precision
```
  82554f15
- Implemented CCMA for OpenCL platform · 74c3def4
  Peter Eastman authored Feb 06, 2010
  
  74c3def4
03 Feb, 2010 1 commit
- Fixed bug in AndersenThermostat · 44b26295
  Peter Eastman authored Feb 03, 2010
  
  44b26295
02 Feb, 2010 1 commit
- Created OpenCL implementation of CustomTorsionForce · a072c113
  Peter Eastman authored Feb 02, 2010
  
  a072c113
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
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 2 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
16 Jan, 2010 1 commit
- Fixed compilation error under Windows · 3f11ad2c
  Peter Eastman authored Jan 16, 2010
  
  3f11ad2c
13 Jan, 2010 3 commits
- 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
- Fixed an incorrect hardcoded path. · 074f6b36
  Peter Eastman authored Jan 13, 2010
  
  074f6b36
12 Jan, 2010 2 commits
- Throw an exception if the user tries to use PME on OpenCL · 3f315a11
  Peter Eastman authored Jan 12, 2010
  
  3f315a11
- 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
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
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