Commits · a9d887b3dd9364f04b19d341614ad146f9052e2c · tsoc / openmm

16 May, 2018 7 commits
- Merge pull request #2073 from peastman/opt · a9d887b3
  peastman authored May 16, 2018
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Minor optimizations
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  a9d887b3
- Merge pull request #2074 from peastman/appveyor · 12b2bac9
  peastman authored May 16, 2018
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Attempt at fixing appveyor
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  12b2bac9
- Merge pull request #2072 from peastman/membrane · 91c8073e
  peastman authored May 16, 2018
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Improvements to building membranes
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  91c8073e
- Attempt at fixing appveyor · 975ca403
  peastman authored May 16, 2018
  
  975ca403
- Minor optimizations · b3af19cd
  peastman authored May 16, 2018
  
  b3af19cd
- Improvements to building membranes · fcee4150
  peastman authored May 16, 2018
  
  fcee4150
- Merge pull request #2068 from peastman/insertion · d03646b5
  peastman authored May 16, 2018
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Preserve PDB insertion codes
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  d03646b5
15 May, 2018 3 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
- Improve error checking · 276e8f4d
  peastman authored May 15, 2018
  
  276e8f4d
14 May, 2018 5 commits
- Modeller handles insertion codes · e4e94dbc
  peastman authored May 14, 2018
  
  e4e94dbc
- Better handle empty insertion codes · 46ee62d9
  peastman authored May 14, 2018
  
  46ee62d9
- Repeat PSF suggestion · b15f87e7
  John Chodera authored May 14, 2018
  
  b15f87e7
- Incorporate feedback from Peter Eastman · 992eab16
  John Chodera authored May 14, 2018
  
  992eab16
- Preserve PDB insertion codes · 9be26851
  peastman authored May 14, 2018
  
  9be26851
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