Commits · 832ff70536733f7b5e5c3767f0d5ec6144f0f2cc · tsoc / openmm

03 Oct, 2014 3 commits
- Use CUDA 6.5 · 832ff705
  kyleabeauchamp authored Oct 03, 2014
  
  832ff705
- Merge pull request #636 from kyleabeauchamp/vmpatch · 9a791e8d
  peastman authored Oct 03, 2014
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[WIP] Updated vagrant scripts for conda build and upload
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  9a791e8d
- Updated vagrant scripts for conda build and upload · cc298d6d
  kyleabeauchamp authored Oct 03, 2014
  
  cc298d6d
01 Oct, 2014 7 commits
- Merge pull request #634 from kyleabeauchamp/statepickle · 4c5f80ce
  peastman authored Oct 01, 2014
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Added fix for #632
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  4c5f80ce
- Added pickler for integrators and test. · 9c7c79a1
  kyleabeauchamp authored Oct 01, 2014
  
  9c7c79a1
- Updated docstring. · 168aaa49
  kyleabeauchamp authored Oct 01, 2014
  
  168aaa49
- Changed name of test to TestPickle. · 321f64a4
  kyleabeauchamp authored Oct 01, 2014
  
  321f64a4
- Renamed test to TestPickle · 3f2150d3
  kyleabeauchamp authored Oct 01, 2014
  
  3f2150d3
- Added test for python serialize · 771842ac
  kyleabeauchamp authored Oct 01, 2014
  
  771842ac
- Added fix for #632 · 252bf5c7
  Kyle Beauchamp authored Oct 01, 2014
  
  252bf5c7
30 Sep, 2014 4 commits
- Merge pull request #631 from peastman/master · deebf493
  peastman authored Sep 30, 2014
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Fixed uninitialized memory error
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  deebf493
- Fixed uninitialized memory error · ce5559f2
  peastman authored Sep 30, 2014
  
  ce5559f2
- Merge pull request #630 from peastman/jit · 751ff079
  peastman authored Sep 30, 2014
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JIT compilation for custom forces in CPU platform
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  751ff079
- Added AsmJit to Licenses.txt · 5a98c0a1
  peastman authored Sep 29, 2014
  
  5a98c0a1
29 Sep, 2014 1 commit
- Do not use JIT compilation in 32 bit mode, since AsmJit currently doesn't support that properly · 40bd2a2f
  peastman authored Sep 29, 2014
  
  40bd2a2f
23 Sep, 2014 6 commits
- Merge pull request #627 from rmcgibbo/integrator-by-name · 77ea3bb6
  peastman authored Sep 23, 2014
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CustomIntegrator::get*VariableByName
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  77ea3bb6
- Merge pull request #626 from rmcgibbo/docs2 · 392a7b04
  peastman authored Sep 23, 2014
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[WEB] Docs on S3
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  392a7b04
- revert change to other function · 8ab5b907
  Robert McGibbon authored Sep 22, 2014
  
  8ab5b907
- Fix to compile · 1b245565
  Robert McGibbon authored Sep 22, 2014
  
  1b245565
- Add by-name getters to CustomIntegrator API · a162c89e
  Robert McGibbon authored Sep 22, 2014
  
  a162c89e
- sphinx install · f77a7019
  Robert McGibbon authored Sep 22, 2014
  
  f77a7019
22 Sep, 2014 1 commit
- Push docs to S3 · 173f7b10
  Robert McGibbon authored Sep 22, 2014
  
  173f7b10
18 Sep, 2014 3 commits
- Merge pull request #623 from peastman/master · fb95c56c
  peastman authored Sep 18, 2014
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Set cutoff correctly for CHARMM polarizable force field
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  fb95c56c
- Set cutoff correctly for CHARMM polarizable force field · b6fcfbd5
  peastman authored Sep 18, 2014
  
  b6fcfbd5
- Fixed an illegal memory access · 2f2357f6
  peastman authored Sep 18, 2014
  
  2f2357f6
17 Sep, 2014 12 commits
- Merge pull request #621 from swails/charmmparameter_fix · b1625264
  peastman authored Sep 17, 2014
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Fix issue where the last CMAP defined in a parameter file is not added to the parameter set.
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  b1625264
- Fix comments. · 94ac0e3c
  Jason Swails authored Sep 17, 2014
  
  94ac0e3c
- Fix issue where the last CMAP defined in a parameter file is not added to the · 400b2a24
  Jason Swails authored Sep 17, 2014
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parameter set.
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  400b2a24
- Merge pull request #620 from peastman/master · 2a06c7be
  peastman authored Sep 17, 2014
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AMOEBA uses fast approximation for erfc()
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  2a06c7be
- AMOEBA uses fast approximation for erfc() · 3bc2ba5b
  peastman authored Sep 17, 2014
  
  3bc2ba5b
- Merge pull request #619 from schwancr/patch-1 · 3e7860e1
  peastman authored Sep 17, 2014
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Update AmoebaMultipoleForceImpl.cpp
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  3e7860e1
- Update AmoebaReferenceKernels.h · b9b55b04
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  b9b55b04
- Update amoebaKernels.h · bad2b091
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  bad2b091
- Update AmoebaMultipoleForce.h · c4dbd03e
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  c4dbd03e
- Update AmoebaMultipoleForce.cpp · e03fe920
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  e03fe920
- Update AmoebaMultipoleForceImpl.h · abe3e901
  Christian Schwantes authored Sep 16, 2014
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typo fix
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  abe3e901
- Fixed compilation error on Linux · 96b61389
  peastman authored Sep 16, 2014
  
  96b61389
16 Sep, 2014 3 commits
- Added #ifdefs and CMake logic for deciding when to use JIT · 6c8c0dd3
  peastman authored Sep 16, 2014
  
  6c8c0dd3
- Added more optimized operations to JIT compilation · 4a25dc79
  peastman authored Sep 16, 2014
  
  4a25dc79
- JIT compilation uses optimized calculations for many of the most common operations · a6fe70d2
  peastman authored Sep 16, 2014
  
  a6fe70d2