Commits · 9a08d9bee663577c5e169330ad9710101b6eaf49 · tsoc / openmm

15 May, 2018 2 commits
- Merge pull request #2066 from jchodera/update-docs · 9a08d9be
  peastman authored May 15, 2018
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Documentation improvements for Amber14 and CHARMM36
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  9a08d9be
- Fix typo · f0e76295
  John Chodera authored May 15, 2018
  
  f0e76295
14 May, 2018 2 commits
- Repeat PSF suggestion · b15f87e7
  John Chodera authored May 14, 2018
  
  b15f87e7
- Incorporate feedback from Peter Eastman · 992eab16
  John Chodera authored May 14, 2018
  
  992eab16
11 May, 2018 2 commits
- CHARMM36 and Amber14 doc improvements · 12dedfa1
  John Chodera authored May 11, 2018
  
  12dedfa1
- Increase docs toctree depth to 4 to allow force fields to be listed for easy searching · 4c012146
  John Chodera authored May 11, 2018
  
  4c012146
09 May, 2018 5 commits
- Merge pull request #2057 from peastman/vector · 9212b1e0
  peastman authored May 09, 2018
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CustomIntegrator can use vector functions
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  9212b1e0
- Merge branch 'vector' of https://github.com/peastman/openmm into vector · 9a19c7d6
  peastman authored May 09, 2018
  
  9a19c7d6
- Fixed test failure in mixed precision mode · 9b381947
  peastman authored May 09, 2018
  
  9b381947
- Merge pull request #2062 from peastman/apoa1 · cbdaa726
  peastman authored May 09, 2018
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Added benchmarks for ApoA1
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  cbdaa726
- Bug fixes to vector expressions · fdc59e96
  Peter Eastman authored May 09, 2018
  
  fdc59e96
08 May, 2018 1 commit
- Added benchmarks for ApoA1 · 0cbd43fb
  peastman authored May 08, 2018
  
  0cbd43fb
04 May, 2018 3 commits
- Merge pull request #2060 from peastman/opt · 143fe36d
  peastman authored May 04, 2018
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Minor optimizations
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  143fe36d
- Documentation for vector functions · b53c6593
  Peter Eastman authored May 04, 2018
  
  b53c6593
- CUDA implementation of vector functions for CustomIntegrator · 4c28df55
  Peter Eastman authored May 04, 2018
  
  4c28df55
03 May, 2018 2 commits
- Minor optimizations · f3c55c28
  peastman authored May 03, 2018
  
  f3c55c28
- Merge pull request #2053 from peastman/duplicate · 38e14267
  peastman authored May 02, 2018
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Remove duplicate patches
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  38e14267
02 May, 2018 2 commits
- Bug fixes · cb92103e
  peastman authored May 02, 2018
  
  cb92103e
- OpenCL implementation of vector functions for CustomIntegrator · ff238051
  peastman authored May 02, 2018
  
  ff238051
30 Apr, 2018 1 commit
- Merge pull request #2054 from peastman/forcefielddir · 6f1db1fb
  peastman authored Apr 30, 2018
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Improved behavior of adding force field directories
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  6f1db1fb
27 Apr, 2018 1 commit
- Reference implementation of vector functions for CustomIntegrator · ad285083
  peastman authored Apr 27, 2018
  
  ad285083
26 Apr, 2018 1 commit
- Merge pull request #2051 from peastman/syncerror · 72def6fb
  peastman authored Apr 26, 2018
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Fixed incorrect synchronization on Volta 
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  72def6fb
25 Apr, 2018 4 commits
- Added missing synchronization · f1bbb8e7
  peastman authored Apr 25, 2018
  
  f1bbb8e7
- Merge pull request #2055 from peastman/travis · c9eb7fb5
  peastman authored Apr 25, 2018
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Attempt at fixing errors on Travis on macOS
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  c9eb7fb5
- Attempt at fixing errors on Travis on macOS · dab8d948
  peastman authored Apr 25, 2018
  
  dab8d948
- Improved behavior of adding force field directories · ac27d6b7
  peastman authored Apr 25, 2018
  
  ac27d6b7
24 Apr, 2018 1 commit
- Remove duplicate patches · 39712657
  peastman authored Apr 24, 2018
  
  39712657
20 Apr, 2018 2 commits
- Fixed incorrect synchronization on Volta for OpenCL · 8a42f4f6
  peastman authored Apr 20, 2018
  
  8a42f4f6
- Fixed incorrect synchronization on Volta · 9f92ae40
  peastman authored Apr 20, 2018
  
  9f92ae40
17 Apr, 2018 1 commit
- Merge pull request #2040 from peastman/disulfide · acc9e93a
  peastman authored Apr 17, 2018
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CHARMM36 supports disulfide bonds
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  acc9e93a
16 Apr, 2018 1 commit
- Fixed bug in patch definition · 2ee886a9
  peastman authored Apr 16, 2018
  
  2ee886a9
10 Apr, 2018 2 commits
- Merge pull request #2044 from JoaoRodrigues/switchfix · f8736c60
  peastman authored Apr 10, 2018
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Fixed reference to self.force when using a switch function for LJ
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  f8736c60
- Fixed reference to self.force when using a switch function for LJ · b571e82c
  João Rodrigues authored Apr 09, 2018
  
  b571e82c
06 Apr, 2018 1 commit
- CHARMM36 supports disulfide bonds · 80d6bd3b
  peastman authored Apr 06, 2018
  
  80d6bd3b
05 Apr, 2018 6 commits
- Merge pull request #2038 from peastman/membrane · 31d0993f
  peastman authored Apr 05, 2018
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Fixed error in determining protein size when building membrane
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  31d0993f
- Merge pull request #2037 from swails/jenkins · b516c1ed
  peastman authored Apr 05, 2018
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Use g++ instead of clang and fix PythonInstall
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  b516c1ed
- Fixed error in determining protein size when building membrane · 6d9bef03
  peastman authored Apr 05, 2018
  
  6d9bef03
- Revert "easy_install doesn't work for pytest (anymore)" · 2e144b6e
  Jason Swails authored Apr 05, 2018
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This reverts commit cfb0d18d.
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  2e144b6e
- Revert "py.test doesn't like to install with easy_install-ed pip" · 29f8057f
  Jason Swails authored Apr 05, 2018
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This reverts commit 7c0d5aa3.
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  29f8057f
- py.test doesn't like to install with easy_install-ed pip · 7c0d5aa3
  Jason Swails authored Apr 05, 2018
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Fall back to nosetests on Mac
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  7c0d5aa3