Commits · 4a30156a2b673e565943da896228493b75fc2533 · tsoc / openmm

27 May, 2020 1 commit
- Added Integrator.setIntegrationForceGroups() · 4a30156a
  peastman authored May 27, 2020
  
  4a30156a
11 Sep, 2019 1 commit
- Minor code cleanup to reference platform · eec14ddb
  peastman authored Sep 11, 2019
  
  eec14ddb
24 Mar, 2017 1 commit
- Use C++11 style loops · 083bc501
  peastman authored Mar 24, 2017
  
  083bc501
13 Jan, 2017 1 commit
- Eliminated RealOpenMM type · a783b996
  peastman authored Jan 13, 2017
  
  a783b996
18 Feb, 2015 1 commit
- Do not allow standard barostats to be used with RPMDIntegrator · 38e19cbe
  peastman authored Feb 18, 2015
  
  38e19cbe
11 Dec, 2013 1 commit
- RPMD works correctly with a barostat · 88a11531
  peastman authored Dec 11, 2013
  
  88a11531
08 Oct, 2013 1 commit
- Added option to omit PILE thermostat from RPMD · 3e36fd7e
  peastman authored Oct 08, 2013
  
  3e36fd7e
06 Sep, 2013 1 commit
- Fixed bug in RPMD contractions · a6f4acb6
  peastman authored Sep 06, 2013
  
  a6f4acb6
19 Aug, 2013 1 commit
- Fixed bug in RPMD contractions · 5e078fdd
  peastman authored Aug 19, 2013
  
  5e078fdd
08 Jul, 2013 1 commit

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

30 May, 2013 1 commit
- Created API and reference implementation for ring polymer contraction · c0ccf9e3
  peastman authored May 30, 2013
  
  c0ccf9e3
15 Apr, 2013 1 commit
- Context constructor now uses const System&, guaranteeing that System won't be modified. · 0307a0db
  Yutong Zhao authored Apr 15, 2013
  
  0307a0db
10 Apr, 2013 1 commit
- RPMD supports virtual sites · 3e7616fc
  Peter Eastman authored Apr 10, 2013
  
  3e7616fc
14 Feb, 2013 1 commit
- RPMDIntegrator invokes updateContextState() (see bug 1798) · 88812cd1
  Peter Eastman authored Feb 14, 2013
  
  88812cd1
25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
06 Oct, 2011 1 commit
- Fixed bug in OpenCL RPMD implementation · ab60bff4
  Peter Eastman authored Oct 06, 2011
  
  ab60bff4
04 Aug, 2011 1 commit
- Cleaning up the RPMD code · c67aed53
  Peter Eastman authored Aug 04, 2011
  
  c67aed53
19 Jul, 2011 1 commit
- Converted RPMD plugin to use a velocity verlet type integrator · 01da523c
  Peter Eastman authored Jul 19, 2011
  
  01da523c
17 Jun, 2011 1 commit
- Continuing reference implementation of RPMD · 47e03b07
  Peter Eastman authored Jun 17, 2011
  
  47e03b07
01 Jun, 2011 1 commit
- Initial implementation of RPMD plugin · 18a837c0
  Peter Eastman authored Jun 01, 2011
  
  18a837c0