Commits · 160c1cdad478efbb21606ce401a3a5e224238c62 · tsoc / openmm

"vscode:/vscode.git/clone" did not exist on "a43396e082e0f8b99ceec5937cd973690fd38dc6"

07 Nov, 2014 1 commit
- Bug fixes and improvements to PDBxFile · 160c1cda
  peastman authored Nov 06, 2014
  
  160c1cda
05 Nov, 2014 3 commits
- Added PdbxReader to Licenses.txt · 0d829062
  peastman authored Nov 05, 2014
  
  0d829062
- Cleanup to PDBx/mmCIF reader · b535e651
  peastman authored Nov 05, 2014
  
  b535e651
- Initial support for reading PDBx/mmCIF files · 2504cf1a
  peastman authored Nov 04, 2014
  
  2504cf1a
04 Nov, 2014 1 commit
- testInstallation.py gives more information about errors · 96e6c4bc
  peastman authored Nov 04, 2014
  
  96e6c4bc
30 Oct, 2014 4 commits
- Merge pull request #684 from peastman/master · 105b196e
  peastman authored Oct 30, 2014
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Minor updates to manual for 6.2.
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  105b196e
- Minor updates to manual for 6.2. · da2e8c92
  peastman authored Oct 30, 2014
  
  da2e8c92
- Merge pull request #683 from peastman/master · 10c5a10f
  peastman authored Oct 30, 2014
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Checked in install.sh script
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  10c5a10f
- Checked in install.sh script · 63bccb58
  peastman authored Oct 30, 2014
  
  63bccb58
28 Oct, 2014 2 commits
- Merge pull request #679 from peastman/master · 476ee9b5
  peastman authored Oct 28, 2014
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Updated version number to 6.2
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  476ee9b5
- Updated version number to 6.2 · b836c4de
  peastman authored Oct 27, 2014
  
  b836c4de
27 Oct, 2014 7 commits
- Merge pull request #678 from peastman/gbshared · 1410ab35
  peastman authored Oct 27, 2014
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Reduced share memory for CustomGBForce
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  1410ab35
- Reduced share memory for CustomGBForce · a0769389
  peastman authored Oct 27, 2014
  
  a0769389
- Merge pull request #672 from jchodera/package-manifests · 858c90ab
  peastman authored Oct 27, 2014
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Added manifests to use for creating source and binary distributions
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  858c90ab
- Merge pull request #675 from peastman/master · 663ae998
  peastman authored Oct 27, 2014
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Added 64 bit version of Windows pthreads library
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  663ae998
- Added 64 bit version of Windows pthreads library · a6f749d1
  peastman authored Oct 27, 2014
  
  a6f749d1
- Merge pull request #674 from peastman/master · fd12265c
  peastman authored Oct 27, 2014
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Mac builds are 64 bit only by default
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  fd12265c
- Mac builds are 64 bit only by default · 5a106de0
  peastman authored Oct 27, 2014
  
  5a106de0
26 Oct, 2014 1 commit
- Added manifests to use for creating source and binary distributions. · c7cacbbf
  John Chodera (MSKCC) authored Oct 26, 2014
  
  c7cacbbf
24 Oct, 2014 1 commit
- Merge pull request #664 from peastman/pdb · 11d73f51
  peastman authored Oct 24, 2014
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Handle hex values for atom and residue numbers
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  11d73f51
23 Oct, 2014 8 commits
- Merge pull request #669 from peastman/custom · 5b591ab0
  peastman authored Oct 23, 2014
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Minor optimization to discrete tabulated functions
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  5b591ab0
- Minor optimization to discrete tabulated functions · 87ea8433
  Peter Eastman authored Oct 23, 2014
  
  87ea8433
- Merge pull request #667 from peastman/gb · 98652498
  peastman authored Oct 23, 2014
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Optimizations to the custom GB models
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  98652498
- Fixed CHARMM parser to work with changes to custom GB models · 5bed3590
  Peter Eastman authored Oct 23, 2014
  
  5bed3590
- Further improvements to handling of weird PDB files created by VMD · 1a5029cf
  peastman authored Oct 23, 2014
  
  1a5029cf
- Merge pull request #668 from peastman/multi · 55bae85f
  peastman authored Oct 23, 2014
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Optimizations to multi-GPU calculations
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  55bae85f
- Further optimizations to custom GB models · 71b67421
  Peter Eastman authored Oct 23, 2014
  
  71b67421
- Optimizations to the custom GB models · 92a4bbe1
  Peter Eastman authored Oct 22, 2014
  
  92a4bbe1
22 Oct, 2014 5 commits
- Merge pull request #665 from peastman/980 · e19cefde
  peastman authored Oct 22, 2014
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Workaround for driver bugs on GTX 980
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  e19cefde
- Another attempt at correctly handling different types of numbers in PDB files · 0e36f341
  peastman authored Oct 22, 2014
  
  0e36f341
- Better workaround for bug on GTX 980 · be863b08
  Peter Eastman authored Oct 22, 2014
  
  be863b08
- Simplified handling of hex values · e53d4f27
  peastman authored Oct 22, 2014
  
  e53d4f27
- Handle hex values for atom and residue numbers · edbe9a74
  peastman authored Oct 22, 2014
  
  edbe9a74
21 Oct, 2014 2 commits
- Workaround for driver bugs that affect GTX 980 · 8e2fc4ea
  Peter Eastman authored Oct 21, 2014
  
  8e2fc4ea
- Optimizations to multi-GPU calculations · 390e0a6b
  root authored Oct 21, 2014
  
  390e0a6b
15 Oct, 2014 4 commits
- Merge pull request #658 from peastman/980 · ba66e90e
  peastman authored Oct 15, 2014
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Workaround to support GTX 980
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  ba66e90e
- Workaround to support GTX 980 · 942d4d7a
  Peter Eastman authored Oct 15, 2014
  
  942d4d7a
- Merge pull request #656 from peastman/sum · 68411b8d
  peastman authored Oct 15, 2014
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Fixed bug in Quantity.sum()
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  68411b8d
- Fixed bug in Quantity.sum() · 9184c372
  Peter Eastman authored Oct 15, 2014
  
  9184c372
14 Oct, 2014 1 commit
- Merge pull request #655 from peastman/paths · 05030307
  peastman authored Oct 14, 2014
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Removed some unnecessary library references that caused problems for conda on OS X
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  05030307