Package etomica.potential

Class PotentialCalculationForceSum

java.lang.Object

etomica.potential.PotentialCalculationForceSum

All Implemented Interfaces:

PotentialCalculation

Direct Known Subclasses:

PotentialCalculationForcePressureSum, PotentialCalculationForcePressureSumGB, PotentialCalculationForceSumWall, PotentialCalculationForceSumWallForce

public class PotentialCalculationForceSum
extends java.lang.Object
implements PotentialCalculation

Sums the force on each iterated atom and adds it to the integrator agent associated with the atom.

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomLeafAgentManager<Vector>	integratorAgentManager

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationForceSum()

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Adds forces due to given potential acting on the atoms produced by the iterator.
void	reset()	Re-zeros the force vectors.
void	setAgentManager(AtomLeafAgentManager<Vector> agentManager)

Methods inherited from class java.lang.Object

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

Field Detail

integratorAgentManager

protected AtomLeafAgentManager<Vector> integratorAgentManager

Constructor Detail

PotentialCalculationForceSum

public PotentialCalculationForceSum()

Method Detail

setAgentManager

public void setAgentManager(AtomLeafAgentManager<Vector> agentManager)

reset

public void reset()

Re-zeros the force vectors.

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

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

Specified by:

doCalculation in interface PotentialCalculation

Parameters:

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

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