Commits · 170e493aa46b53b0afcfa9b1bd56f0c0dfbe8a14 · tsoc / openmm

03 Oct, 2008 1 commit
- Added Brownian dynamics code (including kernels); renamed StochasticDynamics LangevinDynamics · 170e493a
  Mark Friedrichs authored Oct 03, 2008
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Added license to kernel and kernel include files
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  170e493a
02 Oct, 2008 1 commit
- Added functionality to BrookRemoveCMMotionKernel' fixed problem w/ BrookVelocityCenterOfMassRemoval · d3614c8b
  Mark Friedrichs authored Oct 02, 2008
  
  d3614c8b
01 Oct, 2008 1 commit
- Added velocity-center-ofmass removal · 003ef5cc
  Mark Friedrichs authored Oct 01, 2008
  
  003ef5cc
27 Sep, 2008 1 commit
- Added Verlet & KE code · baed0187
  Mark Friedrichs authored Sep 27, 2008
  
  baed0187
25 Sep, 2008 1 commit
- Mods · cb130f92
  Mark Friedrichs authored Sep 25, 2008
  
  cb130f92
24 Sep, 2008 1 commit

BrookCalcStandardMMForceFieldKernel: added _refForceField to calculate energy · 22ecd657

Mark Friedrichs authored Sep 24, 2008

overrides of bonded gathers for testing
BrookGbsa: OBC parameters fixed; added energy calculation
BrookCommon: added utility methods for allocating arrays

22ecd657

11 Sep, 2008 1 commit
- Mods · 6a4a17f8
  Mark Friedrichs authored Sep 11, 2008
  
  6a4a17f8
05 Sep, 2008 1 commit
- Initial unit tests for StandardMMForceField pass · b25a17ae
  Mark Friedrichs authored Sep 05, 2008
  
  b25a17ae
19 Aug, 2008 1 commit
- Mods · d00e8b67
  Mark Friedrichs authored Aug 19, 2008
  
  d00e8b67
15 Aug, 2008 1 commit
- Latest mods · b53cd947
  Mark Friedrichs authored Aug 15, 2008
  
  b53cd947