Package etomica.modules.rosmosis

Class PotentialCalculationForceSumWallForce

java.lang.Object

etomica.potential.PotentialCalculationForceSum

etomica.modules.rosmosis.PotentialCalculationForceSumWallForce

All Implemented Interfaces:

IPotentialCalculationWallForce, PotentialCalculation

public class PotentialCalculationForceSumWallForce
extends PotentialCalculationForceSum
implements IPotentialCalculationWallForce

Sums the force and torque on each iterated atom or molecule and adds it to the agent associated with the atom.

Field Summary

Fields

Modifier and Type	Field	Description
protected IPotential	potentialTether
protected double	wallForce

Fields inherited from class etomica.potential.PotentialCalculationForceSum

integratorAgentManager

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationForceSumWallForce(IPotential potentialTether)

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Adds forces and torques due to given potential acting on the atoms produced by the iterator.
double	getWallForce()
void	reset()	Re-zeros the force vectors.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from class etomica.potential.PotentialCalculationForceSum

setAgentManager

Field Detail

potentialTether

protected final IPotential potentialTether

wallForce

protected double wallForce

Constructor Detail

PotentialCalculationForceSumWallForce

public PotentialCalculationForceSumWallForce(IPotential potentialTether)

Method Detail

reset

public void reset()

Re-zeros the force vectors.

Overrides:

reset in class PotentialCalculationForceSum

getWallForce

public double getWallForce()

Specified by:

getWallForce in interface IPotentialCalculationWallForce

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Adds forces and torques due to given potential acting on the atoms produced by the iterator. Implemented for 1-, 2- and N-body potentials.

Specified by:

doCalculation in interface PotentialCalculation

Overrides:

doCalculation in class PotentialCalculationForceSum

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.