Commits · abbf0b6784e240e30325993377564929c7be4db4 · tsoc / openmm

15 Apr, 2016 2 commits
- Merge pull request #1464 from peastman/serializebonded · abbf0b67
  peastman authored Apr 15, 2016
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Serialization works for periodic boundary conditions on bonded forces
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  abbf0b67
- Serialization works for periodic boundary conditions on bonded forces · 8f1f8af4
  peastman authored Apr 15, 2016
  
  8f1f8af4
13 Apr, 2016 5 commits
- Merge pull request #1462 from peastman/hydrogencutoff · 03a92f78
  peastman authored Apr 13, 2016
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Optimized energy minimization when adding hydrogens
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  03a92f78
- Merge pull request #1455 from tcyrus/patch-1 · 2cda6532
  peastman authored Apr 13, 2016
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Update README.md
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  2cda6532
- Optimized energy minimization when adding hydrogens · 61412811
  peastman authored Apr 13, 2016
  
  61412811
- Merge pull request #1461 from peastman/periodic · 0fa56f2e
  peastman authored Apr 13, 2016
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Allow periodic boundary conditions for bonded forces
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  0fa56f2e
- Define APPLY_PERIODIC to 0 just to be absolutely safe · b458028f
  Peter Eastman authored Apr 13, 2016
  
  b458028f
12 Apr, 2016 2 commits
- OpenCL and CUDA implementation of periodic boundary conditions for bonded forces · 00c22e34
  Peter Eastman authored Apr 12, 2016
  
  00c22e34
- Reference implementation of periodic boundary conditions for bonded forces · 908340c1
  Peter Eastman authored Apr 12, 2016
  
  908340c1
10 Apr, 2016 1 commit
- Update README.md · cfb26ad2
  Timothy Cyrus authored Apr 10, 2016
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Change Badge from PNG to SVG
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  cfb26ad2
04 Apr, 2016 5 commits
- Merge pull request #1449 from peastman/precision · 4bd2f9d2
  peastman authored Apr 04, 2016
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In mixed or double mode, don't select devices that don't support double
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  4bd2f9d2
- Merge pull request #1448 from peastman/deterministic · 369eca45
  peastman authored Apr 04, 2016
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Added property to request deterministic forces
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  369eca45
- Merge pull request #1373 from rafwiewiora/forcefield_xml · d19984d6
  peastman authored Apr 04, 2016
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Residue template overloading / User can specify template if multiple match / Refactor XML loading / No multiple gens
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  d19984d6
- Merge pull request #1446 from swails/psffix · 1ffb9e0a
  peastman authored Apr 04, 2016
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Support negative residue numbers in PSF files.
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  1ffb9e0a
- In mixed or double mode, don't select devices that don't support double · 43586789
  peastman authored Apr 04, 2016
  
  43586789
02 Apr, 2016 1 commit
- Support negative residue numbers in PSF files. · eda1ef2b
  Jason Swails authored Apr 02, 2016
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See https://simtk.org/forums/viewtopic.php?f=161&t=6512&p=16820#p16820 for more
information
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  eda1ef2b
30 Mar, 2016 2 commits
- Merge pull request #1444 from peastman/tabulated · f4339363
  peastman authored Mar 30, 2016
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Fixed an error in the earlier fix for tabulated functions with interaction groups
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  f4339363
- Fixed an error in the earlier fix for tabulated functions with interaction groups · 2653817d
  Peter Eastman authored Mar 30, 2016
  
  2653817d
29 Mar, 2016 1 commit
- Added property to request deterministic forces · cddeb60f
  Peter Eastman authored Mar 28, 2016
  
  cddeb60f
28 Mar, 2016 2 commits
- Merge pull request #1442 from peastman/tables · 375a7081
  peastman authored Mar 28, 2016
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Fixed bug using tabulated functions with interaction groups
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  375a7081
- Fixed bug using tabulated functions with interaction groups · 52ed82ec
  Peter Eastman authored Mar 28, 2016
  
  52ed82ec
25 Mar, 2016 2 commits
- Merge pull request #1438 from peastman/manuals · f2e879e0
  peastman authored Mar 25, 2016
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Minor updates to manuals
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  f2e879e0
- Minor updates to manuals · a45599d2
  peastman authored Mar 25, 2016
  
  a45599d2
24 Mar, 2016 2 commits
- Merge pull request #1432 from peastman/swig · 5c2681d4
  peastman authored Mar 24, 2016
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Require SWIG 3.0.5 or later
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  5c2681d4
- Require SWIG 3.0.5 or later · 06818d80
  peastman authored Mar 23, 2016
  
  06818d80
21 Mar, 2016 2 commits
- Merge pull request #1429 from peastman/utf8 · 293d7c6b
  peastman authored Mar 21, 2016
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Removed the UTF-8 header from a file
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  293d7c6b
- Removed the UTF-8 header from a file · fb96746a
  peastman authored Mar 21, 2016
  
  fb96746a
18 Mar, 2016 3 commits
- Merge pull request #1425 from peastman/hetatm · e8ab1faa
  peastman authored Mar 18, 2016
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PDBFile writes HETATM for heterogens
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  e8ab1faa
- PDBFile writes HETATM for heterogens · f6973b92
  peastman authored Mar 18, 2016
  
  f6973b92
- Merge pull request #1424 from peastman/blockenums · 0d7cf997
  peastman authored Mar 18, 2016
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Renamed enums that caused Fortran compiler errors
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  0d7cf997
17 Mar, 2016 1 commit
- Renamed enums that caused Fortran compiler errors · 1647f1e9
  peastman authored Mar 17, 2016
  
  1647f1e9
14 Mar, 2016 3 commits
- Merge pull request #1420 from peastman/wrappergroups · 38f8d5f4
  peastman authored Mar 14, 2016
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C and Fortran wrappers support groups argument to getState()
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  38f8d5f4
- C and Fortran wrappers support groups argument to getState() · d2bf2685
  Peter Eastman authored Mar 14, 2016
  
  d2bf2685
- Merge pull request #1416 from peastman/docs · 96fbf8bb
  peastman authored Mar 14, 2016
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Can build manuals on Windows
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  96fbf8bb
11 Mar, 2016 1 commit
- Can build manuals on Windows · e179cadd
  peastman authored Mar 11, 2016
  
  e179cadd
10 Mar, 2016 1 commit
- check charges in test · 0c68e831
  Rafal P. Wiewiora authored Mar 09, 2016
  
  0c68e831
09 Mar, 2016 3 commits
- add check for type name in overload · 4aa8df6d
  Rafal P. Wiewiora authored Mar 09, 2016
  
  4aa8df6d
- add tests · 476e820b
  Rafal P. Wiewiora authored Mar 09, 2016
  
  476e820b
- add overriding, check for multiple matching templates, user specified template to residue matching · 4e9b65cf
  Rafal P. Wiewiora authored Mar 09, 2016
  
  4e9b65cf
04 Mar, 2016 1 commit
- Merge pull request #1407 from peastman/coefficients · 9b5b52f2
  peastman authored Mar 04, 2016
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Updated default coefficients for extrapolated polarization
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  9b5b52f2