Commits · 90007de2acd6237a7784bc3774f9687278618241 · tsoc / openmm

15 Mar, 2012 2 commits
- Fixed error on some platforms · 064bb5e3
  Peter Eastman authored Mar 15, 2012
  
  064bb5e3
- Python API can specify force groups when requesting a State · ee30f308
  Peter Eastman authored Mar 15, 2012
  
  ee30f308
05 Mar, 2012 1 commit
- Improved exception handling: catch any exception, not just OpenMMException · 82159daf
  Peter Eastman authored Mar 05, 2012
  
  82159daf
25 Feb, 2012 1 commit
- Fixed Python wrapper for CustomIntegrator::getPerDofVariable() · d2a6f00c
  Peter Eastman authored Feb 25, 2012
  
  d2a6f00c
30 Jan, 2012 1 commit
- Fixed error in wrapping of arguments that are maps · 12daada5
  Peter Eastman authored Jan 30, 2012
  
  12daada5
26 Jan, 2012 1 commit
- ForceField support TIP4P and TIP5P · 2dd09317
  Peter Eastman authored Jan 26, 2012
  
  2dd09317
23 Jan, 2012 1 commit
- Changes to support Python 3 · d648613b
  Peter Eastman authored Jan 23, 2012
  
  d648613b
20 Jan, 2012 1 commit
- Added missing units descriptions for virtual sites · f728d2f6
  Peter Eastman authored Jan 20, 2012
  
  f728d2f6
11 Jan, 2012 1 commit
- Fixed bug creating Python wrappers when the source code is inside a directory called "src" · b791d979
  Peter Eastman authored Jan 11, 2012
  
  b791d979
09 Jan, 2012 1 commit
- Fixed bug in Python wrapper generation · 01726081
  Peter Eastman authored Jan 09, 2012
  
  01726081
04 Jan, 2012 1 commit
- Python API generator no longer requires xpath library · 133b80e1
  Peter Eastman authored Jan 04, 2012
  
  133b80e1
17 Dec, 2011 1 commit
- Fixed Python API builder to handle CustomIntegrator · 4ca69ecc
  Peter Eastman authored Dec 17, 2011
  
  4ca69ecc
15 Nov, 2011 1 commit
- Fixed error when retrieving a numpy array twice · efc8cdba
  Peter Eastman authored Nov 15, 2011
  
  efc8cdba
24 Oct, 2011 1 commit
- Mods for additions/deletions to free energy plugin interface · 5baba853
  Mark Friedrichs authored Oct 24, 2011
  
  5baba853
25 Aug, 2011 1 commit
- getState() in the Python API always computed energy, even if the user didn't ask for it. · f6aef43a
  Peter Eastman authored Aug 25, 2011
  
  f6aef43a
19 Aug, 2011 1 commit
- Python wrapper now has a proper Vec3 class that supports math operators · 5f4ed12e
  Peter Eastman authored Aug 19, 2011
  
  5f4ed12e
05 Aug, 2011 1 commit
- Fixed a bug with retrieval of periodic box vectors from State objects in Python wrappers. · 39cba8fb
  John Chodera authored Aug 05, 2011
  
  39cba8fb
06 Jul, 2011 2 commits
- Mods for return of max Born radius · 3e7433c7
  Mark Friedrichs authored Jul 06, 2011
  
  3e7433c7
- Mods for GBVIForce interface methods to switching function for Born radii calculation · c73587b9
  Mark Friedrichs authored Jul 06, 2011
  
  c73587b9
17 Jun, 2011 1 commit
- Added the enforcePeriodicBox flag to the Python wrapper · 9f700f0d
  Peter Eastman authored Jun 17, 2011
  
  9f700f0d
25 May, 2011 1 commit
- Store references to the System and Integrator inside the Context so they don't... · 2061fbbd
  Peter Eastman authored May 25, 2011
```
Store references to the System and Integrator inside the Context so they don't get garbage collected
```
  2061fbbd
20 May, 2011 1 commit
- Bug fix: State.getParameters() always returned None · 33372529
  Peter Eastman authored May 20, 2011
  
  33372529
08 Apr, 2011 1 commit
- Mods associated w/ polarization type parameter · 1beac75d
  Mark Friedrichs authored Apr 08, 2011
  
  1beac75d
23 Mar, 2011 1 commit
- Cleaning up Python build process · 2c39cb5e
  Peter Eastman authored Mar 23, 2011
  
  2c39cb5e
21 Mar, 2011 1 commit
- Python System objects can be pickled · 2b475dd3
  Peter Eastman authored Mar 21, 2011
  
  2b475dd3
28 Feb, 2011 1 commit
- Renamed simtk.chem.openmm to simtk.openmm · e49bc83f
  Peter Eastman authored Feb 28, 2011
  
  e49bc83f
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6