Package etomica.modules.glass

Class PotentialCalculationForceSumGlass

java.lang.Object

etomica.potential.PotentialCalculationForceSum

etomica.potential.PotentialCalculationForcePressureSum

etomica.modules.glass.PotentialCalculationForceSumGlass

All Implemented Interfaces:

AtomStressSource, PotentialCalculation

public class PotentialCalculationForceSumGlass
extends PotentialCalculationForcePressureSum
implements AtomStressSource

Field Summary

Fields inherited from class etomica.potential.PotentialCalculationForcePressureSum

pressureTensor

Fields inherited from class etomica.potential.PotentialCalculationForceSum

integratorAgentManager

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationForceSumGlass(Box box)

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.
double[][][]	getStress()
void	reset()	Zeros out the pressureTensor.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialCalculationForcePressureSum

getPressureTensor

Methods inherited from class etomica.potential.PotentialCalculationForceSum

setAgentManager

Constructor Detail

PotentialCalculationForceSumGlass

public PotentialCalculationForceSumGlass(Box box)

Method Detail

reset

public void reset()

Description copied from class: PotentialCalculationForcePressureSum

Zeros out the pressureTensor. This method should be called before invoking potentialMaster.calculate so that the pressureTensor is correct at the end of the calculation.

Overrides:

reset in class PotentialCalculationForcePressureSum

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

Overrides:

doCalculation in class PotentialCalculationForcePressureSum

Parameters:

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

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

getStress

public double[][][] getStress()

Specified by:

getStress in interface AtomStressSource