Commits · d314e695a83252ff6cbfe07a4b25f446caae33a6 · tsoc / openmm

06 Mar, 2017 1 commit
- Use C++11 style loops · d314e695
  peastman authored Mar 06, 2017
  
  d314e695
03 Mar, 2017 2 commits
- Use C++11 style loops · 28b79b2f
  peastman authored Mar 03, 2017
  
  28b79b2f
- Use C++11 style loops · ab8f1021
  peastman authored Mar 02, 2017
  
  ab8f1021
01 Mar, 2017 3 commits
- Merge pull request #1756 from peastman/zonly · 88da682c
  peastman authored Mar 01, 2017
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Fixed bugs in multipoles with ZOnly axis type
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  88da682c
- Merge pull request #1755 from swails/ci/jenkins · d12c9bd1
  peastman authored Feb 28, 2017
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Add script to build on my Jenkins machine
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  d12c9bd1
- Fixed bugs in multipoles with ZOnly axis type · 14ea45bc
  Peter Eastman authored Feb 28, 2017
  
  14ea45bc
28 Feb, 2017 11 commits
- Let tests run on Jenkins for longer · d5177294
  Jason Swails authored Feb 28, 2017
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Let tests run up to 2 hours and have a 5 minute timeout for individual tests.
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  d5177294
- Merge pull request #1754 from peastman/dcdappend · d32d05aa
  peastman authored Feb 28, 2017
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Can append to DCD files
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  d32d05aa
- Set OPENMM_CUDA_COMPILER · f1de425f
  Jason Swails authored Feb 27, 2017
  
  f1de425f
- Few small fixes · 236fb79b
  Jason Swails authored Feb 27, 2017
  
  236fb79b
- Build in the src directory · 78ccbbe9
  Jason Swails authored Feb 27, 2017
  
  78ccbbe9
- Make sure directories exist · 088f9ebf
  Jason Swails authored Feb 27, 2017
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And protect against possible spaces in directories
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  088f9ebf
- Clean up conda environment · 0e544e66
  Jason Swails authored Feb 27, 2017
  
  0e544e66
- Typo · cc03b10c
  Jason Swails authored Feb 27, 2017
  
  cc03b10c
- First pass at a Jenkins install script · 2316083e
  Jason Swails authored Feb 27, 2017
  
  2316083e
- Can append to DCD files · 61053842
  peastman authored Feb 27, 2017
  
  61053842
- Merge pull request #1753 from peastman/badge · cab098d7
  peastman authored Feb 27, 2017
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Fixed travis badge
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  cab098d7
27 Feb, 2017 3 commits
- Fixed travis badge · debf2322
  peastman authored Feb 27, 2017
  
  debf2322
- Merge pull request #1752 from peastman/solvent · 3c79fb84
  peastman authored Feb 27, 2017
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Fixed error adding triclinic solvent boxes
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  3c79fb84
- Fixed error adding triclinic solvent boxes · f965d27f
  peastman authored Feb 27, 2017
  
  f965d27f
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 1 commit
- Cleanup to cmake scripts · 96fbe097
  Peter Eastman authored Feb 16, 2017
  
  96fbe097