Commits · 19914cd4a636d2df38cc86b1b872bff62ac1bdd2 · tsoc / openmm

27 Feb, 2020 1 commit
- Init Drude velocities (relative temp is bad currently) · 456d880f
  Andy Simmonett authored Jan 15, 2020
  
  456d880f
12 Nov, 2019 1 commit
- Add extra test to compare DrudeNoseHoover across platforms · 529bf0f2
  Andy Simmonett authored Nov 12, 2019
  
  529bf0f2
24 Oct, 2019 1 commit
- Add Drude Nose-Hoover capability, with tests · f5df1076
  Andy Simmonett authored May 29, 2019
  
  f5df1076
27 Jun, 2016 1 commit
- Fixed energy error for Drude particle at same location as its parent atom · 9b9002c7
  Peter Eastman authored Jun 27, 2016
  
  9b9002c7
17 Sep, 2015 1 commit
- Reference implementation of hard wall constraint for DrudeLangevinIntegrator · 1dfa0e59
  peastman authored Sep 17, 2015
  
  1dfa0e59
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
24 Aug, 2015 1 commit
- Fixed an overly sensitive test case · 6e8f68a5
  peastman authored Aug 24, 2015
  
  6e8f68a5
12 Aug, 2015 1 commit
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
19 Feb, 2015 1 commit
- Minor changes to speed up some test cases · f2958043
  peastman authored Feb 18, 2015
  
  f2958043
30 Dec, 2014 1 commit
- Add a test to the Drude force for usesPeriodicBoundaryConditions · 876329d4
  Jason Swails authored Dec 30, 2014
  
  876329d4
14 Jul, 2014 2 commits
- Fixed some incorrect test cases. · 1aa01b1d
  peastman authored Jul 14, 2014
  
  1aa01b1d
- Changed definition of polarizability to match CHARMM · e1e1e12d
  peastman authored Jul 14, 2014
  
  e1e1e12d
11 Jun, 2014 1 commit
- Fixed an error in the computation of Drude screening force · 1893e517
  peastman authored Jun 11, 2014
  
  1893e517
11 Apr, 2014 1 commit
- Removed _d suffix from debug libraries · 1cb3190e
  peastman authored Apr 11, 2014
  
  1cb3190e
12 Dec, 2013 1 commit

Plugins work with CPU platform. This involved separating the reference... · ef830210

peastman authored Dec 12, 2013

Plugins work with CPU platform.  This involved separating the reference implementations of plugins into their own libraries.

ef830210

05 Dec, 2013 1 commit
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

24 May, 2013 2 commits
- Implemented updateParametersInContext() for DrudeForce · 112b1993
  peastman authored May 24, 2013
  
  112b1993
- Created CUDA implementation of DrudeSCFIntegrator · 8f5c9840
  peastman authored May 23, 2013
  
  8f5c9840
23 May, 2013 1 commit
- Created DrudeSCFIntegrator, including reference implementation · 7cbb8a01
  peastman authored May 22, 2013
  
  7cbb8a01
15 May, 2013 2 commits
- Created CUDA implementation of DrudeForce and DrudeLangevinIntegrator · 09a8475d
  Peter Eastman authored May 15, 2013
  
  09a8475d
- Bug fixes to reference implementation of DrudeLangevinIntegrator · c7711f74
  Peter Eastman authored May 15, 2013
  
  c7711f74
14 May, 2013 1 commit
- Began implementing Drude plugin · 31d761d5
  Peter Eastman authored May 14, 2013
  
  31d761d5