Commits · a584bc96e4c4467d1ee2d60e2e96d6fd47e55c6f · tsoc / openmm

27 Mar, 2014 5 commits
- whoops · a584bc96
  Robert McGibbon authored Mar 27, 2014
  
  a584bc96
- changes based on responses from @swails and @jchodera · c099c6d5
  Robert McGibbon authored Mar 27, 2014
  
  c099c6d5
- add test · 1e7300bb
  Robert McGibbon authored Mar 27, 2014
  
  1e7300bb
- docstring · ac25ece0
  Robert McGibbon authored Mar 27, 2014
  
  ac25ece0
- started work · c2008688
  Robert McGibbon authored Mar 26, 2014
  
  c2008688
18 Mar, 2014 4 commits
- Merge pull request #372 from peastman/master · fe129ae2
  peastman authored Mar 18, 2014
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Fixed compilation errors on Windows, plus an error in a test case
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  fe129ae2
- Fixed compilation errors on Windows, plus an error in a test case · e8718a1f
  Peter Eastman authored Mar 18, 2014
  
  e8718a1f
- Merge pull request #371 from peastman/cpucustom · 6674de99
  peastman authored Mar 17, 2014
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Created an optimized CPU implementation of CustomNonbondedForce
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  6674de99
- Merge pull request #369 from peastman/rpmd · d547601c
  peastman authored Mar 17, 2014
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Created RPMDIntegrator::getTotalEnergy()
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  d547601c
17 Mar, 2014 4 commits
- Bug fix · ee2d7229
  peastman authored Mar 17, 2014
  
  ee2d7229
- Finished parallelizing CPU implementation of CustomNonbondedForce · b8866444
  peastman authored Mar 17, 2014
  
  b8866444
- Began parallelizing CPU implementation of CustomNonbondedForce · c053a59a
  peastman authored Mar 17, 2014
  
  c053a59a
- Began creating CPU implementation of CustomNonbondedForce · 7ab954bb
  peastman authored Mar 17, 2014
  
  7ab954bb
13 Mar, 2014 5 commits
- Fixed Python API for RPMDIntegrator::getTotalEnergy() · efbcb899
  peastman authored Mar 13, 2014
  
  efbcb899
- Merge pull request #370 from peastman/master · e94afeaf
  peastman authored Mar 13, 2014
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Fixed compilation errors on Windows
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  e94afeaf
- Fixed compilation errors on Windows · 77cec3f7
  Peter Eastman authored Mar 13, 2014
  
  77cec3f7
- Created RPMDIntegrator::getTotalEnergy() · 66738579
  peastman authored Mar 13, 2014
  
  66738579
- Merge pull request #364 from rmcgibbo/travis2 · 4e2c9968
  peastman authored Mar 12, 2014
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Fix Travis-CI
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  4e2c9968
12 Mar, 2014 10 commits
- Merge pull request #367 from leeping/master · 82662e25
  peastman authored Mar 12, 2014
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AMOEBA No Quadrupole Optimization
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  82662e25
- Fixed pselling mistake :) · be3f55f6
  Lee-Ping authored Mar 12, 2014
  
  be3f55f6
- Merge branch 'master' of github.com:SimTk/openmm · 4233befd
  leeping authored Mar 12, 2014
  
  4233befd
- Merge branch 'master' of github.com:leeping/openmm · eb9f735a
  leeping authored Mar 12, 2014
  
  eb9f735a
- Update .travis.yml · 4943c48d
  Robert McGibbon authored Mar 12, 2014
  
  4943c48d
- Merge pull request #363 from peastman/pme · 31d02cdc
  peastman authored Mar 12, 2014
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Added option to explicitly set PME parameters
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  31d02cdc
- minor changes · 4ad1af2a
  Robert McGibbon authored Mar 12, 2014
  
  4ad1af2a
- fix conditional · 17cbd4c2
  Robert McGibbon authored Mar 12, 2014
  
  17cbd4c2
- only rerun when at least one test failed · 64fdc0d3
  Robert McGibbon authored Mar 12, 2014
  
  64fdc0d3
- I think I fixed it · d37b0fce
  Robert McGibbon authored Mar 11, 2014
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Cant get python build with fsanitize=address

Rerun failing tests

Remove the runtime error

whoops typo

didn't mean to commit that...
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  d37b0fce
11 Mar, 2014 4 commits
- Random changes to travis-yml · 9109b435
  Robert McGibbon authored Mar 11, 2014
  
  9109b435
- Added option to explicitly set PME parameters · c9eef8cf
  peastman authored Mar 11, 2014
  
  c9eef8cf
- Merge pull request #362 from peastman/threads · cfc01d01
  peastman authored Mar 11, 2014
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Created a property for setting the number of CPU cores to use
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  cfc01d01
- Created a property for setting the number of CPU cores to use · 424bfe9c
  peastman authored Mar 11, 2014
  
  424bfe9c
06 Mar, 2014 4 commits
- Merge pull request #359 from peastman/master · 42dfb1d7
  peastman authored Mar 06, 2014
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Fixed some overly stringent tests
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  42dfb1d7
- Fixed some overly stringent tests · 55237c86
  peastman authored Mar 06, 2014
  
  55237c86
- Merge pull request #357 from peastman/master · 74ed6b1f
  peastman authored Mar 05, 2014
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Removed unnecessary synchronization that hurt performance on Nvidia
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  74ed6b1f
- Removed unnecessary synchronization that hurt performance on Nvidia · 73643858
  Peter Eastman authored Mar 05, 2014
  
  73643858
05 Mar, 2014 2 commits
- Merge pull request #356 from peastman/master · 2e668d83
  peastman authored Mar 05, 2014
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Fixed incorrectly formatted comments that caused problems in the API docs
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  2e668d83
- Fixed incorrectly formatted comments that caused problems in the API docs · a8a78957
  peastman authored Mar 05, 2014
  
  a8a78957
04 Mar, 2014 2 commits
- Merge pull request #355 from mgarraha/master · 8ca60c0f
  peastman authored Mar 04, 2014
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bug fix for Reference CustomCompoundBondForce
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  8ca60c0f
- added testMultipleBonds · c8fa8828
  Mike Garrahan authored Mar 04, 2014
  
  c8fa8828