Commits · adb3cda7a7952d88a32480ef9d95ded093075e6b · tsoc / openmm

06 Jan, 2017 1 commit
- Added more error checking to constraints · adb3cda7
  peastman authored Jan 05, 2017
  
  adb3cda7
05 Jan, 2017 2 commits
- Merge pull request #1709 from peastman/deprecated · a51caf73
  peastman authored Jan 05, 2017
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Fixed deprecation warnings in Python API docs
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  a51caf73
- Fixed deprecation warnings in Python API docs · 8eedf2be
  peastman authored Jan 05, 2017
  
  8eedf2be
04 Jan, 2017 2 commits
- Merge pull request #1708 from peastman/copyfunctions · 67450563
  peastman authored Jan 04, 2017
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Support copy() and deepcopy() for TabulatedFunctions
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  67450563
- Support copy() and deepcopy() for TabulatedFunctions · 7c86e874
  peastman authored Jan 04, 2017
  
  7c86e874
24 Dec, 2016 8 commits
- Merge pull request #1697 from jchodera/update-packaging-scripts · 54b39e91
  peastman authored Dec 24, 2016
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Update packaging scripts for zip installers
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  54b39e91
- Revert two files that were accidentally caught in PR. · c21e213c
  jchodera authored Dec 24, 2016
  
  c21e213c
- Add back missing linux packaging scripts · f8903a65
  jchodera authored Dec 24, 2016
  
  f8903a65
- Update osx build script to return to initial directory after build · 4b2c3ed6
  jchodera authored Dec 24, 2016
  
  4b2c3ed6
- Add documentation and remove gcc build scripts · fb83a291
  jchodera authored Dec 24, 2016
  
  fb83a291
- Update source build script · 3164ee17
  jchodera authored Dec 24, 2016
  
  3164ee17
- Update `osx` packaging scripts. · fade85c4
  jchodera authored Dec 23, 2016
  
  fade85c4
- Update packaging scripts for clang linux builds · 40cad32b
  jchodera authored Dec 23, 2016
  
  40cad32b
23 Dec, 2016 1 commit
- Update packaging scripts for jchodera/omnia-build-box:cuda80-amd30 docker image · 69abec48
  jchodera authored Dec 23, 2016
  
  69abec48
20 Dec, 2016 2 commits
- Merge pull request #1694 from peastman/storeposasdelta · 228083e3
  peastman authored Dec 20, 2016
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Fixed bug in CustomIntegrator
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  228083e3
- Fixed bug in CustomIntegrator · 12046dc5
  peastman authored Dec 20, 2016
  
  12046dc5
17 Dec, 2016 2 commits
- Merge pull request #1692 from peastman/mergedsteps · 1e5b258c
  peastman authored Dec 16, 2016
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Fixed bug merging steps in CustomIntegrator
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  1e5b258c
- Fixed bug merging steps in CustomIntegrator · 74dba059
  peastman authored Dec 16, 2016
  
  74dba059
15 Dec, 2016 2 commits
- Merge pull request #1686 from peastman/windows · 88b0a3e9
  peastman authored Dec 15, 2016
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Automate Windows builds
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  88b0a3e9
- Use APP SDK for OpenCL · 3660a63d
  peastman authored Dec 15, 2016
  
  3660a63d
13 Dec, 2016 3 commits
- Merge pull request #1690 from peastman/leak · 877c2bfd
  peastman authored Dec 13, 2016
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Fixed a memory leak
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  877c2bfd
- Hopefully fixed compilation error on Windows · 5447bb74
  peastman authored Dec 12, 2016
  
  5447bb74
- Fixed a memory leak · e83a2f7c
  peastman authored Dec 12, 2016
  
  e83a2f7c
09 Dec, 2016 1 commit
- Fixes to Windows build files · 03d8f66a
  peastman authored Dec 09, 2016
  
  03d8f66a
08 Dec, 2016 1 commit
- Initial scripts for automating Windows builds · 4e6063d8
  peastman authored Dec 07, 2016
  
  4e6063d8
06 Dec, 2016 1 commit
- Merge pull request #1682 from peastman/triclinicerror · 0071c334
  peastman authored Dec 06, 2016
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Fixed error building neighbor list with triclinic boxes
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  0071c334
05 Dec, 2016 1 commit
- Merge pull request #1684 from peastman/checkpoint · 0305b4b7
  peastman authored Dec 05, 2016
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CheckpointReporter does not create output file until first report
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  0305b4b7
02 Dec, 2016 3 commits
- CheckpointReporter does a safe save · c232858c
  peastman authored Dec 02, 2016
  
  c232858c
- CheckpointReporter does not create output file until first report · ea9714c1
  peastman authored Dec 02, 2016
  
  ea9714c1
- Fixed error building neighbor list with triclinic boxes · 5e535679
  Peter Eastman authored Dec 02, 2016
  
  5e535679
01 Dec, 2016 3 commits
- Merge pull request #1681 from peastman/zerofriction · bb2d463c
  peastman authored Dec 01, 2016
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Langevin integrator supports setting friction to 0
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  bb2d463c
- Fixed error compiling kernel · ea3c4747
  Peter Eastman authored Dec 01, 2016
  
  ea3c4747
- Langevin integrator supports setting friction to 0 · 37a87d8a
  Peter Eastman authored Dec 01, 2016
  
  37a87d8a
30 Nov, 2016 4 commits
- Merge pull request #1680 from peastman/disablepairlist · 29b1d430
  peastman authored Nov 30, 2016
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Disable fine-grained pair list
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  29b1d430
- Disable fine-grained pair list · b7d91a8e
  Peter Eastman authored Nov 30, 2016
  
  b7d91a8e
- Merge pull request #1679 from peastman/customintegrator · bbd06b16
  peastman authored Nov 29, 2016
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Fixes to CustomIntegrator
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  bbd06b16
- Fixes to CustomIntegrator · 403e4744
  Peter Eastman authored Nov 29, 2016
  
  403e4744
28 Nov, 2016 2 commits
- Merge pull request #1678 from peastman/property · ff851ecc
  peastman authored Nov 28, 2016
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Fixed a bug in setting property by deprecated name
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  ff851ecc
- Fixed a bug in setting property by deprecated name · a6fd8742
  Peter Eastman authored Nov 28, 2016
  
  a6fd8742
23 Nov, 2016 1 commit
- Merge pull request #1675 from peastman/defaultarg · 9f717609
  peastman authored Nov 23, 2016
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Minor change to avoid breaking PDBFixer
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  9f717609