Commits · debf232282a745fbb21bc58775d0dcedd3223a9e · tsoc / openmm

27 Feb, 2017 1 commit
- Fixed travis badge · debf2322
  peastman authored Feb 27, 2017
  
  debf2322
24 Feb, 2017 1 commit
- Merge pull request #1748 from peastman/errors · ebcd9740
  peastman authored Feb 24, 2017
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Fixed failing tests
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  ebcd9740
23 Feb, 2017 5 commits
- Use older version of doxygen to avoid segfault · 7866986b
  peastman authored Feb 23, 2017
  
  7866986b
- Fixed overly strict tolerance in test case · 72d0fd40
  peastman authored Feb 23, 2017
  
  72d0fd40
- Merge pull request #1747 from peastman/realtype · 8469621f
  peastman authored Feb 23, 2017
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Eliminated RealOpenMM
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  8469621f
- Fixed compilation error on Windows · 6813ca57
  peastman authored Feb 23, 2017
  
  6813ca57
- Fixed errors · 766f480f
  peastman authored Feb 22, 2017
  
  766f480f
22 Feb, 2017 5 commits
- Merged changes from main branch · cd874b2b
  peastman authored Feb 22, 2017
  
  cd874b2b
- Merge pull request #1746 from peastman/state · b84e22ba
  peastman authored Feb 22, 2017
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Improved performance of Python State objects
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  b84e22ba
- Install numpy on appveyor · ac7953db
  peastman authored Feb 22, 2017
  
  ac7953db
- Improved performance of Python State objects · 7c0bee4f
  peastman authored Feb 22, 2017
  
  7c0bee4f
- Merge pull request #1557 from andysim/dpme · 53f770f4
  peastman authored Feb 21, 2017
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Dispersion PME
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  53f770f4
21 Feb, 2017 4 commits
- Merge pull request #1743 from peastman/cmake · f36f36bf
  peastman authored Feb 21, 2017
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Cleanup to cmake scripts
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  f36f36bf
- More test changes, to appease appveyor. · c0850062
  Andy Simmonett authored Feb 21, 2017
  
  c0850062
- Merge pull request #1657 from rmcgibbo/rmcgibbo-patch-2 · 21f5df1c
  peastman authored Feb 21, 2017
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Add Bohrs to units
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  21f5df1c
- Small fixes to LJPME testing. · 551c5b03
  Andy Simmonett authored Feb 21, 2017
  
  551c5b03
20 Feb, 2017 3 commits
- Merge branch 'master' of github.com:pandegroup/openmm into dpme · 1945dd6c
  Andy Simmonett authored Feb 20, 2017
  
  1945dd6c
- Loosened tolerance for force checks slighly, for single precision CUDA test. · 203e5407
  Andy Simmonett authored Feb 19, 2017
  
  203e5407
- New DMF test, with GROMACS reference inputs, to test the correctness of replacement 1-4 parameters. · c08b19ee
  Andy Simmonett authored Feb 19, 2017
  
  c08b19ee
17 Feb, 2017 1 commit
- Fixed error in travis builds · f8b51ca7
  peastman authored Feb 17, 2017
  
  f8b51ca7
16 Feb, 2017 9 commits
- Cleanup to cmake scripts · 96fbe097
  Peter Eastman authored Feb 16, 2017
  
  96fbe097
- Merge pull request #1741 from peastman/lamda · 9963e51a
  peastman authored Feb 16, 2017
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Use lambdas for thread pool tasks
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  9963e51a
- Attempting to fix travis errors · 50054664
  peastman authored Feb 16, 2017
  
  50054664
- Attempting to fix appveyor errors · 259b808c
  peastman authored Feb 16, 2017
  
  259b808c
- Attempting to fix appveyor errors · af1cc4e1
  peastman authored Feb 16, 2017
  
  af1cc4e1
- Attempting to fix travis errors · 89e69535
  peastman authored Feb 16, 2017
  
  89e69535
- Attempting to fix travis errors · 1b9ba8cb
  peastman authored Feb 16, 2017
  
  1b9ba8cb
- Attempting to fix travis errors · 30c57740
  peastman authored Feb 16, 2017
  
  30c57740
- Attempt at fixing errors on travis and appveyor · 06fe75fb
  peastman authored Feb 16, 2017
  
  06fe75fb
15 Feb, 2017 4 commits
- Require CMake 3.1 or later · 31d7f883
  peastman authored Feb 15, 2017
  
  31d7f883
- Use lambdas for thread pool tasks · 859bfd6c
  peastman authored Feb 15, 2017
  
  859bfd6c
- Merge pull request #1740 from peastman/updateparams · 2c559596
  peastman authored Feb 15, 2017
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Optimizations to updateParametersInContext()
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  2c559596
- Optimizations to updateParametersInContext() for CUDA · 2a1e9acf
  Peter Eastman authored Feb 15, 2017
  
  2a1e9acf
14 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for OpenCL · 67091abf
  Peter Eastman authored Feb 14, 2017
  
  67091abf
10 Feb, 2017 3 commits
- Merge pull request #1736 from peastman/leak · dd712841
  peastman authored Feb 10, 2017
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Fixed memory leaks when minimizer fails
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  dd712841
- Fixed memory leaks when minimizer fails · df6bbb23
  peastman authored Feb 10, 2017
  
  df6bbb23
- Merge pull request #5 from peastman/ljpme · 723074e7
  Andy Simmonett authored Feb 10, 2017
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Created OpenCL implementation of dispersion PME
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  723074e7
08 Feb, 2017 3 commits
- Disable CPU PME when using dispersion PME on OpenCL · 625f6440
  Peter Eastman authored Feb 08, 2017
  
  625f6440
- Disable CPU PME when using dispersion PME · 09d22418
  Peter Eastman authored Feb 08, 2017
  
  09d22418
- Created OpenCL implementation of dispersion PME · 5ef1d4eb
  Peter Eastman authored Feb 08, 2017
  
  5ef1d4eb