Commits · 6bb42da5a23b47a59187e6d44522f9e70380790e · tsoc / openmm

"vscode:/vscode.git/clone" did not exist on "e0966c784d3dc6836227c41a00dbaa9af676af66"

23 Mar, 2016 1 commit
- remove duplicate bonds from CustomBondForce · 6bb42da5
  ChayaSt authored Mar 23, 2016
  
  6bb42da5
15 Mar, 2016 1 commit
- cleanup. Use lookup in dict instead of nested loops · b44a8829
  ChayaSt authored Mar 15, 2016
  
  b44a8829
11 Mar, 2016 3 commits
- added test for scaled 1-4 LJ · 8c85cdce
  ChayaSt authored Mar 11, 2016
  
  8c85cdce
- added scaled 1-4 LJ as customBondForce · 30cd2c16
  ChayaSt authored Mar 11, 2016
  
  30cd2c16
- lj14 as customBondForce · 0e05f63b
  ChayaSt authored Mar 10, 2016
  
  0e05f63b
09 Mar, 2016 5 commits
- Merge branch 'master' of https://github.com/pandegroup/openmm into nbfix · f5ec3142
  ChayaSt authored Mar 08, 2016
  
  f5ec3142
- changed AtomTypePair to NBFixPair · 6b7ef87f
  ChayaSt authored Mar 08, 2016
  
  6b7ef87f
- changed AtomTypePair to NBFIxPair · 06428115
  ChayaSt authored Mar 08, 2016
  
  06428115
- added test for L-J generator · 6786edce
  ChayaSt authored Mar 08, 2016
  
  6786edce
- cleaned up L-J generator · f3e28c4d
  ChayaSt authored Mar 08, 2016
  
  f3e28c4d
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 4 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
- Merge pull request #1402 from peastman/ewaldenergy · 7633a01c
  peastman authored Feb 26, 2016
```
Part of the Ewald energy was being returned even when that force group wasn't requested
```
  7633a01c
- Part of the Ewald energy was being returned even when that force group wasn't requested · 34b7e213
  Peter Eastman authored Feb 26, 2016
  
  34b7e213
19 Feb, 2016 4 commits
- fixed docstring for creatFroce · 471f760f
  ChayaSt authored Feb 19, 2016
  
  471f760f
- Merge branch 'master' of https://github.com/pandegroup/openmm into nbfix · 208d5240
  ChayaSt authored Feb 19, 2016
  
  208d5240
- added a test for nbfix generator · 79e76a4e
  ChayaSt authored Feb 19, 2016
  
  79e76a4e
- convert sigma to rmin · 8a95c7c7
  ChayaSt authored Feb 19, 2016
  
  8a95c7c7
17 Feb, 2016 3 commits
- Merge pull request #1396 from jchodera/fix-packaging-scripts · 20af24c4
  peastman authored Feb 17, 2016
```
Update packaging preparation scripts
```
  20af24c4
- Update packaging preparation scripts · 3bc2008a
  jchodera authored Feb 17, 2016
  
  3bc2008a
- moved logic to find if NBFIX is needed to NBFixGenerator · 321dcc40
  ChayaSt authored Feb 17, 2016
  
  321dcc40
16 Feb, 2016 3 commits
- check if there are two atoms with NBFIX · b91e8d13
  ChayaSt authored Feb 16, 2016
  
  b91e8d13
- added postprocessSystem · 23522479
  ChayaSt authored Feb 16, 2016
  
  23522479
- added arguments · da4cb9b0
  ChayaSt authored Feb 16, 2016
  
  da4cb9b0
15 Feb, 2016 2 commits
- nbfix generator · 5c26fbaf
  ChayaSt authored Feb 15, 2016
  
  5c26fbaf
- Merge pull request #1369 from peastman/scripts · 2060b5b5
  peastman authored Feb 15, 2016
```
Updates to packaging scripts for 7.0
```
  2060b5b5
12 Feb, 2016 1 commit
- Fixed miniconda URL · 43214550
  Peter Eastman authored Feb 12, 2016
  
  43214550
10 Feb, 2016 2 commits
- Merge pull request #1360 from peastman/debugcl · 4c6503e0
  peastman authored Feb 10, 2016
```
Debugging OpenCL errors on travis
```
  4c6503e0
- Fixed errors in CustomManyParticleForce · a7ce5784
  peastman authored Jan 22, 2016
  
  a7ce5784
09 Feb, 2016 2 commits
- fixed parseElements · 38d40527
  ChayaSt authored Feb 09, 2016
  
  38d40527
- started working on NBFix generator · f7bfc6b7
  ChayaSt authored Feb 09, 2016
  
  f7bfc6b7
08 Feb, 2016 3 commits
- Another attempt at getting the docs to build correctly · 22697eb2
  peastman authored Feb 08, 2016
  
  22697eb2
- Merge pull request #1391 from peastman/xml · 9b892909
  peastman authored Feb 08, 2016
```
irrXML supports numeric escapes
```
  9b892909
- Merge branch 'scripts' of https://github.com/peastman/openmm into scripts · dbaeb984
  Peter Eastman authored Feb 08, 2016
  
  dbaeb984