Commits · 117ccbbf74dd79f36742b8b85a55f881e9ac251e · tsoc / openmm

25 Apr, 2017 1 commit
- Created test case for CHARMM impropers fix · 117ccbbf
  peastman authored Apr 25, 2017
  
  117ccbbf
14 Apr, 2017 1 commit
- Use simpler form of harmonic torsion restraint that respects boundary conditions · 7b2086c0
  jchodera authored Apr 14, 2017
  
  7b2086c0
15 Mar, 2017 4 commits
- Add more warning to documentation · 6c571b43
  jchodera authored Mar 14, 2017
  
  6c571b43
- Change problematic example for CustomTorsionForce · 40974a96
  jchodera authored Mar 14, 2017
  
  40974a96
- Include numerical value of pi · 6bdf834a
  jchodera authored Mar 14, 2017
  
  6bdf834a
- Fix bug where CHARMM impropers did not respect toroidal boundary conditions · 38ea6054
  jchodera authored Mar 14, 2017
  
  38ea6054
06 Mar, 2017 1 commit
- Merge pull request #1759 from peastman/deldcd · 9f6bd494
  peastman authored Mar 06, 2017
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Fixed test failure on Windows
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  9f6bd494
04 Mar, 2017 1 commit
- Fixed the next failure... · f1e31c1d
  peastman authored Mar 03, 2017
  
  f1e31c1d
03 Mar, 2017 4 commits
- Fixed test failure on Windows · 1119b032
  peastman authored Mar 03, 2017
  
  1119b032
- Merge pull request #1757 from Lnaden/sphinxupdate · 9ae41c1f
  peastman authored Mar 03, 2017
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Allow docs to build in Sphinx 1.3.1 and 1.5.1
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  9ae41c1f
- better word choice · 256f47a4
  Levi Naden authored Mar 03, 2017
  
  256f47a4
- Fix docs building on Sphinx 1.3.1 and 1.5.1 due to custom text role · b82d3fa2
  Levi Naden authored Mar 03, 2017
  
  b82d3fa2
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