Commits · 6cfc0c906592e4fd23b0b0ed8c12b994e97dfedc · tsoc / openmm

15 May, 2014 3 commits
- Merge pull request #455 from peastman/master · 6cfc0c90
  peastman authored May 15, 2014
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Implemented AMOEBA 2013 force field
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  6cfc0c90
- Merge branch 'peastman-amoeba' · 7981628b
  Peter Eastman authored May 15, 2014
  
  7981628b
- Merge branch 'amoeba' of https://github.com/peastman/openmm into peastman-amoeba · 7eb5a10f
  Peter Eastman authored May 15, 2014
  
  7eb5a10f
14 May, 2014 1 commit
- Regenerated AMOEBA 2013 force field based on corrected parameter file · 918af983
  Peter Eastman authored May 14, 2014
  
  918af983
12 May, 2014 3 commits
- Merge pull request #442 from kyleabeauchamp/tinydocfix · 0d61baa1
  peastman authored May 12, 2014
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Fixed typo in modeller docstring.
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  0d61baa1
- Merge pull request #444 from mpharrigan/py34 · 79ad83b5
  peastman authored May 12, 2014
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Python 3 compatibility
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  79ad83b5
- Python 3 compatibility · ac1c1786
  Matthew Harrigan authored May 11, 2014
  
  ac1c1786
10 May, 2014 1 commit
- Fixed typo in modeller docstring. · 99517031
  Kyle Beauchamp authored May 10, 2014
  
  99517031
08 May, 2014 2 commits
- Fixed incorrect specification of torsion-torsion terms in AMOEBA 2013 force field · bbe0ce70
  peastman authored May 08, 2014
  
  bbe0ce70
- AmoebaTorsionTorsionForce can calculate derivatives of the grid points automatically · 25e3852a
  Peter Eastman authored May 08, 2014
  
  25e3852a
07 May, 2014 2 commits
- Merge pull request #440 from peastman/master · 9202aec4
  peastman authored May 07, 2014
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Fixed a bug in a test case
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  9202aec4
- Fixed a bug in a test case · cafd3d74
  peastman authored May 07, 2014
  
  cafd3d74
06 May, 2014 2 commits
- Merge pull request #439 from peastman/master · 890cdb46
  peastman authored May 06, 2014
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Fixed bug using multiple devices with PME
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  890cdb46
- Fixed bug using multiple devices with PME · f1991b3c
  peastman authored May 06, 2014
  
  f1991b3c
01 May, 2014 3 commits
- Merge pull request #427 from peastman/master · 5ed9dd65
  peastman authored May 01, 2014
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DrudeForce was ignoring force groups (see bug 2012)
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  5ed9dd65
- DrudeForce was ignoring force groups (see bug 2012) · 11ef1e01
  peastman authored May 01, 2014
  
  11ef1e01
- Merge pull request #426 from peastman/vsite · 509b9b8e
  peastman authored May 01, 2014
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Additional changes to support LocalCoordinatesSite
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  509b9b8e
30 Apr, 2014 1 commit
- Additional changes to support LocalCoordinatesSite · 2a6d81e4
  peastman authored Apr 30, 2014
  
  2a6d81e4
28 Apr, 2014 7 commits
- Merge pull request #424 from smikes/vs2013-compile-errors · 62969a3f
  peastman authored Apr 28, 2014
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VS2013 compile errors
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  62969a3f
- change back to #ifdef · 8e3c539a
  smikes authored Apr 28, 2014
  
  8e3c539a
- remove redundant setting of #defines · 190e7031
  smikes authored Apr 27, 2014
  
  190e7031
- Merge branch 'vs2013-compile-errors' of https://github.com/smikes/openmm into vs2013-compile-errors · 5d659b73
  smikes authored Apr 27, 2014
  
  5d659b73
- Revert "serialization #defines not visible to VS2013; add manually" · 12716b74
  smikes authored Apr 27, 2014
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This reverts commit fa806957.
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  12716b74
- Revert "Revert "Remove forced #defines"" · 3731ffa7
  smikes authored Apr 27, 2014
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This reverts commit a3998cae.
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  3731ffa7
- Revert "Remove forced #defines" · a3998cae
  smikes authored Apr 27, 2014
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This reverts commit 5dfab798.
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  a3998cae
27 Apr, 2014 7 commits
- Force necessary settings for serialization sources; fixes compile prob on W7/MSVC12 · 1fcd1484
  Sam Mikes authored Apr 27, 2014
  
  1fcd1484
- Remove forced #defines · 5dfab798
  Sam Mikes authored Apr 27, 2014
  
  5dfab798
- serialization #defines not visible to VS2013; add manually · fa806957
  Sam Mikes authored Apr 27, 2014
  
  fa806957
- MSVC 2013 defines conformant round(), workaround not needed · aa6f6bd7
  Sam Mikes authored Apr 27, 2014
  
  aa6f6bd7
- Can't send bare stringstream to iostream; use .str() · 78271a67
  Sam Mikes authored Apr 27, 2014
  
  78271a67
- Guard against multiple definition of M_PI · be0205e3
  Sam Mikes authored Apr 27, 2014
  
  be0205e3
- VS2013 requires <algorithm> for std::min, std::max · 169083af
  Sam Mikes authored Apr 27, 2014
  
  169083af
25 Apr, 2014 1 commit
- Merge pull request #420 from kyleabeauchamp/docfix · 25ea315c
  peastman authored Apr 24, 2014
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Fixing some sphinx doc typos
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  25ea315c
24 Apr, 2014 7 commits
- Merge pull request #423 from peastman/vsite · ed03c83f
  peastman authored Apr 24, 2014
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Created a new type of virtual site
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  ed03c83f
- Added documentation for LocalCoordinatesSite · f1d8c869
  peastman authored Apr 24, 2014
  
  f1d8c869
- Created Python API for LocalCoordinatesSite · 5061a032
  peastman authored Apr 24, 2014
  
  5061a032
- Created CUDA and OpenCL implementations of LocalCoordinatesSite · c88213f8
  peastman authored Apr 24, 2014
  
  c88213f8
- More fixes to file paths · 8df1e310
  Kyle Beauchamp authored Apr 24, 2014
  
  8df1e310
- Another typo · 9ab6603b
  Kyle Beauchamp authored Apr 24, 2014
  
  9ab6603b
- First typo fixed · 4646cf3b
  Kyle Beauchamp authored Apr 23, 2014
  
  4646cf3b