Commits · c2d461f528447facd1a44b39318e875b3292f918 · tsoc / openmm

26 Aug, 2014 1 commit
- Fixed a bug in Python wrapper for CustomManyParticleForce · bf464848
  peastman authored Aug 26, 2014
  
  bf464848
07 Aug, 2014 1 commit
- Fixed errors building Python wrapper for CustomManyParticleForce · d25d6a90
  peastman authored Aug 06, 2014
  
  d25d6a90
16 May, 2014 1 commit
- Fixed incorrect units in AmoebaStretchBendForce.getStretchBendParameters() · ed554f52
  Peter Eastman authored May 16, 2014
  
  ed554f52
24 Apr, 2014 1 commit
- Created Python API for LocalCoordinatesSite · 5061a032
  peastman authored Apr 24, 2014
  
  5061a032
09 Apr, 2014 1 commit
- units on getPMEParameters · 78b466c4
  Robert McGibbon authored Apr 09, 2014
  
  78b466c4
02 Apr, 2014 1 commit
- Added getMolecules() to swigInputConfig.py · 0285f162
  peastman authored Apr 02, 2014
  
  0285f162
13 Mar, 2014 1 commit
- Fixed Python API for RPMDIntegrator::getTotalEnergy() · efbcb899
  peastman authored Mar 13, 2014
  
  efbcb899
31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
```
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
30 Jan, 2014 1 commit
- Fixed errors in wrapper generation related to TabulatedFunctions · f7e5492d
  peastman authored Jan 30, 2014
  
  f7e5492d
30 Oct, 2013 1 commit
- Skip all /internal directories when building Python wrappers. This allows the... · 521f61ef
  peastman authored Oct 30, 2013
```
Skip all /internal directories when building Python wrappers.  This allows the configuration file to be simplified.
```
  521f61ef
25 Oct, 2013 1 commit
- Fixed errors in Python wrapping of AmoebaMultipoleForce · 0be0772b
  peastman authored Oct 24, 2013
  
  0be0772b
23 Oct, 2013 1 commit
- Fixed an error in generating Python wrappers · cf6ca0ac
  peastman authored Oct 23, 2013
  
  cf6ca0ac
01 Jun, 2013 3 commits
- Removed duplicate kernels, slightly modified API for Python compatibility. · b7a24d6c
  Lee-Ping authored Jun 01, 2013
  
  b7a24d6c
- Code implemented and passes tests · 665de794
  Lee-Ping authored Jun 01, 2013
  
  665de794
- Created Python API for ring polymer contraction · ffdce362
  peastman authored May 31, 2013
  
  ffdce362
24 May, 2013 1 commit
- Added DrudeSCFIntegrator to the Python wrappers · f8f80693
  peastman authored May 24, 2013
  
  f8f80693
17 May, 2013 1 commit
- Created Python wrapper for Drude plugin · a9f16906
  Peter Eastman authored May 17, 2013
  
  a9f16906
03 May, 2013 1 commit
- Specified units for some new methods · c4d89122
  Peter Eastman authored May 03, 2013
  
  c4d89122
17 Apr, 2013 1 commit
- Context.setState() works in Python · efa09228
  Peter Eastman authored Apr 17, 2013
  
  efa09228
25 Mar, 2013 1 commit

Cleaned up Python API for XmlSerializer. Also ensure that deserialized... · 4f911c7a

Peter Eastman authored Mar 25, 2013

Cleaned up Python API for XmlSerializer.  Also ensure that deserialized objects are returned as the correct class (see bug 1827)

4f911c7a

21 Nov, 2012 1 commit
- Removed references to free energy plugin · dabb49a7
  Peter Eastman authored Nov 21, 2012
  
  dabb49a7
18 Oct, 2012 1 commit

LPW attempted bugfixes: (1) Changed unit multipliers in... · 68593ba6

Lee-Ping Wang authored Oct 18, 2012

LPW attempted bugfixes: (1) Changed unit multipliers in AmoebaVdwForce::getParticleParameters (2) Sorted vectors in exclusionLists so it agrees with atomExclusions

68593ba6

28 Sep, 2012 1 commit
- Removed the word "harmonic" from lots of places it didn't belong, including class and method names · c6ebf6e2
  Peter Eastman authored Sep 28, 2012
  
  c6ebf6e2
27 Sep, 2012 1 commit
- Major cleanup of the AMOEBA API · 1db349e5
  Peter Eastman authored Sep 27, 2012
  
  1db349e5
20 Jun, 2012 1 commit

Added AmoebaMultipoleForce::getSystemMultipoleMoments() to get system... · 8eb6850d

Mark Friedrichs authored Jun 20, 2012

Added AmoebaMultipoleForce::getSystemMultipoleMoments() to get system multipole moments; based on TINKER subroutine moments()

8eb6850d

18 Jun, 2012 1 commit
- Return dimensionless quantities as numbers, not Quantities with unit=dimensionless. · 15a68e22
  Peter Eastman authored Jun 18, 2012
  
  15a68e22
15 Jun, 2012 1 commit
- Added code to calculate electrostatic potential given vector of grid points · e79b262b
  Mark Friedrichs authored Jun 15, 2012
  
  e79b262b
11 May, 2012 1 commit
- Checkpointing works with Python · 72f3fe31
  Peter Eastman authored May 11, 2012
  
  72f3fe31
10 May, 2012 1 commit
- Fixed errors building wrappers for CustomCompoundBondForce · 8d2074f5
  Peter Eastman authored May 10, 2012
  
  8d2074f5
21 Mar, 2012 1 commit
- Generate Python wrapper for RPMDIntegrator · a57facb4
  Peter Eastman authored Mar 21, 2012
  
  a57facb4
26 Jan, 2012 1 commit
- ForceField support TIP4P and TIP5P · 2dd09317
  Peter Eastman authored Jan 26, 2012
  
  2dd09317
20 Jan, 2012 1 commit
- Added missing units descriptions for virtual sites · f728d2f6
  Peter Eastman authored Jan 20, 2012
  
  f728d2f6
17 Dec, 2011 1 commit
- Fixed Python API builder to handle CustomIntegrator · 4ca69ecc
  Peter Eastman authored Dec 17, 2011
  
  4ca69ecc
24 Oct, 2011 1 commit
- Mods for additions/deletions to free energy plugin interface · 5baba853
  Mark Friedrichs authored Oct 24, 2011
  
  5baba853
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
08 Apr, 2011 1 commit
- Mods associated w/ polarization type parameter · 1beac75d
  Mark Friedrichs authored Apr 08, 2011
  
  1beac75d
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6