Commits · 7ab954bb0df38aaede0dbeaba15c1d64be133bc1 · tsoc / openmm

17 Mar, 2014 1 commit
- Began creating CPU implementation of CustomNonbondedForce · 7ab954bb
  peastman authored Mar 17, 2014
  
  7ab954bb
13 Mar, 2014 1 commit
- Fixed compilation errors on Windows · 77cec3f7
  Peter Eastman authored Mar 13, 2014
  
  77cec3f7
11 Mar, 2014 2 commits
- Added option to explicitly set PME parameters · c9eef8cf
  peastman authored Mar 11, 2014
  
  c9eef8cf
- Created a property for setting the number of CPU cores to use · 424bfe9c
  peastman authored Mar 11, 2014
  
  424bfe9c
06 Mar, 2014 2 commits
- Fixed some overly stringent tests · 55237c86
  peastman authored Mar 06, 2014
  
  55237c86
- Removed unnecessary synchronization that hurt performance on Nvidia · 73643858
  Peter Eastman authored Mar 05, 2014
  
  73643858
04 Mar, 2014 3 commits
- added testMultipleBonds · c8fa8828
  Mike Garrahan authored Mar 04, 2014
  
  c8fa8828
- fix bug in Reference CustomCompoundBondForce · c52a3d25
  Mike Garrahan authored Mar 04, 2014
  
  c52a3d25
- Revert "Added System::getNumDegreesOfFreedom()" · 52c35f70
  peastman authored Mar 04, 2014
```
This reverts commit 542ee547.
```
  52c35f70
03 Mar, 2014 1 commit
- Added System::getNumDegreesOfFreedom() · 542ee547
  peastman authored Mar 03, 2014
  
  542ee547
01 Mar, 2014 2 commits
- Removed some obsolete test code · b16bec99
  peastman authored Feb 28, 2014
  
  b16bec99
- Another attempt at dealing with the fact that some compilers define round() and others don't · dd63128f
  peastman authored Mar 01, 2014
  
  dd63128f
28 Feb, 2014 2 commits
- Fixed compilation errors on Windows · 8381aaa8
  peastman authored Feb 28, 2014
  
  8381aaa8
- fix bug · 05423d24
  Robert McGibbon authored Feb 28, 2014
  
  05423d24
10 Feb, 2014 1 commit
- Fixed an intermittent segfault · e49231b4
  peastman authored Feb 10, 2014
  
  e49231b4
31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
```
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
30 Jan, 2014 2 commits
- Created OpenCL and CUDA implementations of Continuous3DFunction · 3279c73a
  peastman authored Jan 30, 2014
  
  3279c73a
- Created reference implementation of Continuous3DFunction · c9c218ac
  peastman authored Jan 30, 2014
  
  c9c218ac
29 Jan, 2014 2 commits
- Created OpenCL and CUDA implementations of Continuous2DFunction · 9434c6e8
  peastman authored Jan 29, 2014
  
  9434c6e8
- Created reference implementation of Continuous2DFunction · 4cfeb429
  peastman authored Jan 28, 2014
  
  4cfeb429
28 Jan, 2014 2 commits
- Use static pthread_mt libraries when doing static builds on windows · a8bb863a
  Yutong Zhao authored Jan 28, 2014
  
  a8bb863a
- Fix linker issues for CPU platform on Windows · 57eba9da
  Yutong Zhao authored Jan 28, 2014
  
  57eba9da
27 Jan, 2014 2 commits
- CPU, CUDA, and OpenCL platforms can now be built statically · 8285d658
  Yutong Zhao authored Jan 27, 2014
  
  8285d658
- Tabulated function parameters are hardcoded in the kernel instead of being... · 0a1a011d
  peastman authored Jan 27, 2014
```
Tabulated function parameters are hardcoded in the kernel instead of being stored in an array.  This makes the code simpler and may help performance slightly.
```
  0a1a011d
25 Jan, 2014 1 commit
- Created Discrete2DFunction and Discrete3DFunction · a773952e
  peastman authored Jan 24, 2014
  
  a773952e
24 Jan, 2014 2 commits
- Created Discrete1DFunction · 56e36449
  peastman authored Jan 24, 2014
  
  56e36449
- Converted CUDA and OpenCL platforms to process tabulated functions with the TabulatedFunction API · 81f26683
  peastman authored Jan 23, 2014
  
  81f26683
23 Jan, 2014 2 commits
- Converted reference platform to process tabulated functions with the TabulatedFunction API · 98640b63
  peastman authored Jan 23, 2014
  
  98640b63
- Prevent trying to use the CPU OpenCL device on OS X · ee3fcb01
  peastman authored Jan 23, 2014
  
  ee3fcb01
22 Jan, 2014 3 commits
- Fixed a compilation error · 77a54244
  peastman authored Jan 22, 2014
  
  77a54244
- Parallelized the initialization of positions and forces in the CPU platform · 146b66bd
  peastman authored Jan 22, 2014
  
  146b66bd
- Parallelized the computation of torsions with CPU platform · 543d51d7
  peastman authored Jan 22, 2014
  
  543d51d7
16 Jan, 2014 1 commit
- Fixed a test case that occasionally failed · feb0368f
  Peter Eastman authored Jan 15, 2014
  
  feb0368f
15 Jan, 2014 1 commit
- Test cases detect if CPU is not supported and exit rather than crashing · 9966f134
  Peter Eastman authored Jan 14, 2014
  
  9966f134
14 Jan, 2014 1 commit
- Detect Visual Studio in a way that works correctly with NMake files · 19dd114e
  peastman authored Jan 13, 2014
  
  19dd114e
11 Jan, 2014 2 commits
- Same bug fix as the previous commit, but for CUDA · 1e857c31
  peastman authored Jan 10, 2014
  
  1e857c31
- Fixed a bug in OpenCL implementation of CustomGBForce · 44e65cb1
  peastman authored Jan 10, 2014
  
  44e65cb1
09 Jan, 2014 3 commits
- Fixed additional errors on Windows · 76d592d6
  Peter Eastman authored Jan 09, 2014
  
  76d592d6
- Fixed a bug that could potentially cause LJ energy to be nan · 5c983283
  peastman authored Jan 09, 2014
  
  5c983283
- Optimizations to CPU GBSA · cf52e69f
  peastman authored Jan 08, 2014
  
  cf52e69f