CylindricalConfinement

SimulationBuilder > MD > SimulationComponents


This implements Weeks-Chandler-Andersen (WCA)walls in the form of a cylinder. The z-direction behaves as a periodic boundary. The radius corresponds to a "ghost particle" placed at that point. At each time step, a WCA ghost particle acts on the particle of interest along the vector formed by the center of the cylinder (in the xy plane) and the particle of interest (in xy plane).

Synopsis

#include <glotzilla++.h>

//declare an instance
CylindricalConfinement *confinement = new CylindricalConfinement;

//set some parameters
confinement->SetRadius(1.0); //wall at r=1

//add the SystemComponent to the simulation
AddSimulationComponent(confinement); 

Tutorials

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