Commits · 9434c6e860c22f21ef1eedf04da78b6eda8e568a · tsoc / openmm

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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 1 commit
- Added 2D spline functions to SplineFitter · 5b0e8f29
  peastman authored Jan 28, 2014
  
  5b0e8f29
27 Jan, 2014 2 commits
- 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
- Delete TabulatedFunctions when their owner is deleted · 5d4dcb42
  peastman authored Jan 27, 2014
  
  5d4dcb42
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
- Created new API for tabulated functions · dabc225e
  peastman authored Jan 23, 2014
  
  dabc225e
22 Jan, 2014 4 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
- Fixed errors in wrapper generation when using Visual Studio 2010 · 4f339321
  peastman authored Jan 22, 2014
  
  4f339321
17 Jan, 2014 3 commits
- Lots of documentation updates for 6.0 · 7b0faf6a
  peastman authored Jan 17, 2014
  
  7b0faf6a
- Updated version number to 6.0 · 99072608
  peastman authored Jan 17, 2014
  
  99072608
- Fixed an error in CMake script when compiling with clang · 55f008e3
  peastman authored Jan 16, 2014
  
  55f008e3
16 Jan, 2014 2 commits
- Ensure that PYTHON_EXECUTABLE is visible to all CMake scripts · 9e2c6b06
  Peter Eastman authored Jan 16, 2014
  
  9e2c6b06
- 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 3 commits
- Fixed a compilation error when building wrappers · bd543402
  peastman authored Jan 14, 2014
  
  bd543402
- Merge pull request #286 from peastman/master · 901108a0
  peastman authored Jan 14, 2014
```
Added methods for changing default parameters on barostats and thermostats
```
  901108a0
- Added methods for changing default parameters on barostats and thermostats · df563967
  peastman authored Jan 14, 2014
  
  df563967
15 Jan, 2014 1 commit
- Workaround for bug in Visual Studio · 435be5e2
  peastman authored Jan 15, 2014
  
  435be5e2
14 Jan, 2014 5 commits
- Merge pull request #285 from peastman/master · 6341257a
  peastman authored Jan 14, 2014
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Workaround for bug in Visual Studio
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  6341257a
- Detect Visual Studio in a way that works correctly with NMake files · c285b600
  peastman authored Jan 13, 2014
  
  c285b600
- Detect Visual Studio in a way that works correctly with NMake files · 19dd114e
  peastman authored Jan 13, 2014
  
  19dd114e
- Merge pull request #284 from peastman/master · 75dc8532
  peastman authored Jan 13, 2014
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Detect Visual Studio in a way that works correctly with NMake files
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  75dc8532
- Merge pull request #283 from peastman/master · 9723e3b7
  peastman authored Jan 13, 2014
```
Detect Visual Studio in a way that works correctly with NMake files
```
  9723e3b7
11 Jan, 2014 3 commits
- Merge pull request #282 from peastman/master · f4545597
  peastman authored Jan 10, 2014
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Fixed a bug in CustomGBForce
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  f4545597
- 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
10 Jan, 2014 3 commits
- Merge pull request #278 from peastman/progress · e32e1a61
  peastman authored Jan 10, 2014
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StateDataReport can report % progress, speed, and time to completion
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  e32e1a61
- Merge pull request #281 from peastman/master · db9528ca
  peastman authored Jan 10, 2014
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Updated Developer Guide for 6.0
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  db9528ca
- Updated Developer Guide for 6.0 · 8c918ca2
  peastman authored Jan 10, 2014
  
  8c918ca2
09 Jan, 2014 5 commits
- Merge pull request #280 from peastman/master · 8e24cfc9
  peastman authored Jan 09, 2014
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Fixed additional errors on Windows
```
  8e24cfc9
- Bug fix · e14ab7b9
  peastman authored Jan 09, 2014
  
  e14ab7b9
- 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
- Merge pull request #279 from peastman/master · d3469b87
  peastman authored Jan 08, 2014
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Optimizations to CPU GBSA
```
  d3469b87