Commits · 5fb0a7489e6ba25e3a387c21c067d7b6e7caaf6e · tsoc / openmm

14 Aug, 2015 1 commit
- No jom · 5fb0a748
  Robert McGibbon authored Aug 14, 2015
  
  5fb0a748
13 Aug, 2015 11 commits
- Merge pull request #1093 from rmcgibbo/add-typemap · 3924b168
  peastman authored Aug 12, 2015
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Add bytes typemap
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  3924b168
- Merge pull request #1092 from rmcgibbo/windows-tests · 4b46bee6
  peastman authored Aug 12, 2015
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Fix three tests on windows
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  4b46bee6
- Merge pull request #1091 from rmcgibbo/osx-opencl · 8a762772
  peastman authored Aug 12, 2015
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Fix OpenCL platform on low-end devices
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  8a762772
- Merge pull request #1090 from rmcgibbo/cmake-windows · 14bd3629
  peastman authored Aug 12, 2015
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Eliminate extra warning about overriding the warning level
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  14bd3629
- Add bytes typemap · aa63d230
  Robert McGibbon authored Aug 12, 2015
  
  aa63d230
- Fix test checkpoint reporter close file before repoening · dbfc3024
  Robert McGibbon authored Aug 12, 2015
  
  dbfc3024
- Fix OpenCL platform on low-end devices · 8ae2eba5
  Robert McGibbon authored Aug 12, 2015
  
  8ae2eba5
- Close PDBx file before deleting to fix windows test failure in TestPDbxFile.py · df071ec7
  Robert McGibbon authored Aug 12, 2015
  
  df071ec7
- Close file before deleting in TestAmberPrmtopFile.py · 5e733a33
  Robert McGibbon authored Aug 12, 2015
  
  5e733a33
- Clean up · 0ea62d4f
  Robert McGibbon authored Aug 12, 2015
  
  0ea62d4f
- Eliminate extra warning about overriding the warning level · 2c0a6d7b
  Robert McGibbon authored Aug 12, 2015
  
  2c0a6d7b
12 Aug, 2015 8 commits
- Merge pull request #1087 from peastman/warn · 7ee7de16
  peastman authored Aug 12, 2015
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Show fewer warnings on Visual Studio
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  7ee7de16
- Merge pull request #1086 from rmcgibbo/py3 · a3476d23
  peastman authored Aug 12, 2015
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Fix two tests for python3
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  a3476d23
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
- Update TestPdbFile.py · 920d3d4b
  Robert T. McGibbon authored Aug 12, 2015
  
  920d3d4b
- Fix two tests for python3 · 408cfe6c
  Robert McGibbon authored Aug 12, 2015
  
  408cfe6c
- Merge pull request #1085 from rmcgibbo/appveyor2 · c2891265
  peastman authored Aug 12, 2015
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Add appveyor.yml
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  c2891265
- Rerun failing tests · e8b6c910
  Robert McGibbon authored Aug 12, 2015
  
  e8b6c910
- Add appveyor.yml · 8c69c0dc
  Robert McGibbon authored Aug 12, 2015
  
  8c69c0dc
11 Aug, 2015 3 commits
- Merge pull request #1082 from peastman/threads · ff0cdceb
  peastman authored Aug 11, 2015
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Attempt at fixing a race condition in CPU PME
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  ff0cdceb
- CPU PME plugin uses ThreadPool instead of implementing its own parallelization · 63e2123d
  peastman authored Aug 11, 2015
  
  63e2123d
- Attempt at fixing a race condition in CPU PME · 28fe68e0
  peastman authored Aug 10, 2015
  
  28fe68e0
10 Aug, 2015 4 commits
- Merge pull request #1081 from swails/pdbx · 4c00b312
  peastman authored Aug 10, 2015
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Add PDBxReporter class
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  4c00b312
- Get rid of superfluous method. · c885f3d7
  Jason Swails authored Aug 10, 2015
  
  c885f3d7
- Fix unit cell writing in PDBx/mmCIF files. · a6eccd99
  Jason Swails authored Aug 10, 2015
  
  a6eccd99
- Use computeLengthsAndAngles. Also switch to using print_function in pdbfile.py · 4db8f48c
  Jason Swails authored Aug 10, 2015
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(part of the long-term plan of supporting Python 2 and 3 in the same code base
without 2to3)
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  4db8f48c
08 Aug, 2015 3 commits
- Add test cases for PDBxReporter · 16fdf4a8
  Jason Swails authored Aug 08, 2015
  
  16fdf4a8
- Fix up PDBxFile writing and the reporter. It now works in my tests. · 8c91abb6
  Jason Swails authored Aug 08, 2015
  
  8c91abb6
- Add ability to write PDBx/mmCIF files and add a PDBxReporter class to do so. · 22fc6e88
  Jason Swails authored Aug 07, 2015
  
  22fc6e88
07 Aug, 2015 2 commits
- Merge pull request #1080 from peastman/exec · 300566f3
  peastman authored Aug 07, 2015
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Fixed errors executing force field scripts on Python 3
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  300566f3
- Fixed errors executing force field scripts on Python 3 · a5415e25
  peastman authored Aug 07, 2015
  
  a5415e25
06 Aug, 2015 2 commits
- Merge pull request #1077 from peastman/pdbx · 0f611850
  peastman authored Aug 06, 2015
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Minor improvements to loading PDBx files
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  0f611850
- Minor improvements to loading PDBx files · e4022a59
  peastman authored Aug 06, 2015
  
  e4022a59
05 Aug, 2015 6 commits
- Merge pull request #1031 from rmcgibbo/units2 · a1a61127
  peastman authored Aug 05, 2015
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MAINT: Nicer swig wrappers
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  a1a61127
- Merge pull request #1075 from rmcgibbo/travis-unused · 6c82c11b
  peastman authored Aug 05, 2015
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Remove unused CI stuff
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  6c82c11b
- Support modern swig, strip units on the C++ side of the swig wrappers. · b0baa00d
  Robert McGibbon authored Jul 09, 2015
  
  b0baa00d
- Remove unused CI stuff · 6c5e9bdf
  Robert McGibbon authored Aug 04, 2015
  
  6c5e9bdf
- Merge pull request #1071 from rmcgibbo/travis · 04db8c60
  peastman authored Aug 04, 2015
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Use travis container infastructure
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  04db8c60
- Merge pull request #1073 from peastman/memleak · 61527786
  peastman authored Aug 04, 2015
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Fixed a memory leak in OpenCL platform on Nvidia GPUs
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  61527786