Commits · 72ab88647bc9944e1b1d002646b889b68288498a · tsoc / openmm

19 Aug, 2015 1 commit
- Continuing CUDA implementation of spherical harmonics for multipoles · 72ab8864
  peastman authored Aug 19, 2015
  
  72ab8864
17 Aug, 2015 1 commit
- Began CUDA implementation of spherical harmonics for multipoles · fa21870f
  peastman authored Aug 17, 2015
  
  fa21870f
14 Aug, 2015 2 commits
- Removed obsolete reference multipole code · 3b4dca22
  peastman authored Aug 14, 2015
  
  3b4dca22
- Merge branch 'spherical_harmonics' of https://github.com/andysim/openmm into multipoles · bfc34052
  peastman authored Aug 14, 2015
  
  bfc34052
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
04 Aug, 2015 4 commits
- Fixed a memory leak in OpenCL platform on Nvidia GPUs · 7177e2ad
  peastman authored Aug 04, 2015
  
  7177e2ad
- Update .travis.yml · cdde495a
  Robert T. McGibbon authored Aug 04, 2015
  
  cdde495a
- Merge pull request #1070 from peastman/repr · 7dc0a154
  peastman authored Aug 04, 2015
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Added a more useful string representation of atoms, residues, and chains
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  7dc0a154
- Use travis container infastructure · 53d64f0c
  Robert McGibbon authored Aug 03, 2015
  
  53d64f0c
03 Aug, 2015 5 commits
- Added a more useful string representation of atoms, residues, and chains · 9d97adde
  peastman authored Aug 03, 2015
  
  9d97adde
- Merge pull request #1069 from rmcgibbo/install-sfmt-headers · 14c5e241
  peastman authored Aug 03, 2015
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Install SFMT headers
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  14c5e241
- Install SFMT headers · 5fb992c5
  Robert McGibbon authored Aug 03, 2015
  
  5fb992c5
- Merge pull request #1068 from peastman/segfault · 5cc23632
  peastman authored Aug 03, 2015
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Fixed segfault in AmoebaMultipoleForce
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  5cc23632
- Fixed segfault in AmoebaMultipoleForce · d33b232e
  peastman authored Aug 03, 2015
  
  d33b232e
30 Jul, 2015 5 commits
- Merge pull request #1063 from peastman/hydrogens · ce19f85c
  peastman authored Jul 30, 2015
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When calling addHydrogens() without a ForceField, improve positioning of hydrogens
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  ce19f85c
- When calling addHydrogens() without a ForceField, improve positioning of hydrogens · ebe757dd
  peastman authored Jul 30, 2015
  
  ebe757dd
- Merge pull request #1062 from jchodera/fix-tests-2 · a8e21c5b
  peastman authored Jul 30, 2015
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Fix issue with test type casting.
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  a8e21c5b
- Fix issue with test type casting. · 297da7b2
  John Chodera (MSKCC) authored Jul 29, 2015
  
  297da7b2
- Merge pull request #1061 from jchodera/add-jenkins-badges · 9b345f2d
  peastman authored Jul 29, 2015
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Badging update
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  9b345f2d
29 Jul, 2015 9 commits
- Moved badges to their own section. · 3b31a1f9
  Chodera authored Jul 29, 2015
  
  3b31a1f9
- Minor tweak. · d2a54821
  Chodera authored Jul 29, 2015
  
  d2a54821
- Badging update. · 13eed794
  Chodera authored Jul 29, 2015
  
  13eed794
- Merge pull request #1059 from jchodera/add-jenkins-badges · b32e5832
  peastman authored Jul 29, 2015
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Added badges for Jenkins openmm-dev conda package builds.
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  b32e5832
- Merge pull request #1057 from peastman/optimize · 36589f7c
  peastman authored Jul 29, 2015
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Very minor optimizations
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  36589f7c
- Added badges for Jenkins openmm-dev conda package builds. · fbd23d2f
  Chodera authored Jul 29, 2015
  
  fbd23d2f
- Very minor optimizations · ef627240
  peastman authored Jul 29, 2015
  
  ef627240
- Merge pull request #1056 from peastman/perdof · 6431f0ac
  peastman authored Jul 29, 2015
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Optimizations to custom integrator
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  6431f0ac
- Optimizations to custom integrator · c744444a
  peastman authored Jul 29, 2015
  
  c744444a
28 Jul, 2015 1 commit
- Merge pull request #1055 from peastman/clone · 637de3d3
  peastman authored Jul 28, 2015
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Implemented cloning of objects by serialization
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  637de3d3
27 Jul, 2015 1 commit
- Implemented cloning of objects by serialization · a707b2b4
  peastman authored Jul 27, 2015
  
  a707b2b4
24 Jul, 2015 1 commit
- Merge pull request #1051 from peastman/ffterror · bf7efca6
  peastman authored Jul 24, 2015
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Fixed potential compilation error in CUDA FFT
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  bf7efca6