Commits · b458028f8f083387e03129a3b7eba6fe6c3cc3cd · tsoc / openmm

13 Apr, 2016 1 commit
- 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
04 Apr, 2016 5 commits
- Merge pull request #1449 from peastman/precision · 4bd2f9d2
  peastman authored Apr 04, 2016
```
In mixed or double mode, don't select devices that don't support double
```
  4bd2f9d2
- Merge pull request #1448 from peastman/deterministic · 369eca45
  peastman authored Apr 04, 2016
```
Added property to request deterministic forces
```
  369eca45
- Merge pull request #1373 from rafwiewiora/forcefield_xml · d19984d6
  peastman authored Apr 04, 2016
```
Residue template overloading / User can specify template if multiple match / Refactor XML loading / No multiple gens
```
  d19984d6
- Merge pull request #1446 from swails/psffix · 1ffb9e0a
  peastman authored Apr 04, 2016
```
Support negative residue numbers in PSF files.
```
  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
```
See https://simtk.org/forums/viewtopic.php?f=161&t=6512&p=16820#p16820 for more
information
```
  eda1ef2b
30 Mar, 2016 2 commits
- Merge pull request #1444 from peastman/tabulated · f4339363
  peastman authored Mar 30, 2016
```
Fixed an error in the earlier fix for tabulated functions with interaction groups
```
  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
```
Fixed bug using tabulated functions with interaction groups
```
  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
```
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
```
Require SWIG 3.0.5 or later
```
  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
```
PDBFile writes HETATM for heterogens
```
  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
```
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
```
C and Fortran wrappers support groups argument to getState()
```
  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
```
Can build manuals on Windows
```
  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 2 commits
- Merge pull request #1407 from peastman/coefficients · 9b5b52f2
  peastman authored Mar 04, 2016
```
Updated default coefficients for extrapolated polarization
```
  9b5b52f2
- Updated default coefficients for extrapolated polarization · 71cb7358
  Peter Eastman authored Mar 04, 2016
  
  71cb7358
01 Mar, 2016 1 commit
- Merge pull request #1405 from pgrinaway/fix-3-member-rings · b768ff4a
  peastman authored Feb 29, 2016
```
Fix 3 member rings
```
  b768ff4a
29 Feb, 2016 3 commits
- make clearer · 6aea38c9
  pgrinaway authored Feb 29, 2016
  
  6aea38c9
- fix or -> and · 405607e0
  pgrinaway authored Feb 29, 2016
  
  405607e0
- check to make sure duplicate atoms are not assigned in torsions · 42b5a69c
  pgrinaway authored Feb 29, 2016
  
  42b5a69c
26 Feb, 2016 2 commits
- Merge pull request #1403 from peastman/neighbors · e1c49ebd
  peastman authored Feb 26, 2016
```
Fixed a bug in CPU neighbor list with triclinic boxes
```
  e1c49ebd
- Fixed a bug in CPU neighbor list with triclinic boxes · a4f7077b
  peastman authored Feb 26, 2016
  
  a4f7077b