Force modifier for NPT Langevin Hull Dynamics applying friction and random forces as well as torques. More...

#include <LangevinHullForceModifier.hpp>

Inheritance diagram for OpenMD::LangevinHullForceModifier:

Public Member Functions
	LangevinHullForceModifier (SimInfo *info)

void	modifyForces () override

Additional Inherited Members
Protected Member Functions inherited from OpenMD::ForceModifier
	ForceModifier (SimInfo *info)

Protected Attributes inherited from OpenMD::ForceModifier
SimInfo *	info_ {nullptr}

Detailed Description

Force modifier for NPT Langevin Hull Dynamics applying friction and random forces as well as torques.

Stochastic force is determined by the area of surface triangles on the convex hull. See: Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011), and Kohanoff et al. CHEMPHYSCHEM 6, 1848-1852 (2005).

Definition at line 71 of file LangevinHullForceModifier.hpp.