Package etomica.normalmode

Class PotentialCalculationSolidSuperCutLS

java.lang.Object

etomica.normalmode.PotentialCalculationSolidSuperCut

etomica.normalmode.PotentialCalculationSolidSuperCutLS

All Implemented Interfaces:

PotentialCalculation

public class PotentialCalculationSolidSuperCutLS
extends PotentialCalculationSolidSuperCut

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

Field Summary

Fields inherited from class etomica.normalmode.PotentialCalculationSolidSuperCut

boundary, box, coordinateDefinition, dadbSum, dr, dr0, drA, drB, drSite0, drSite1, energySum, fac1, pTmp1, pzxySum, r2Cut, space, sum1, virialSum

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationSolidSuperCutLS(Space space, CoordinateDefinition coordinateDefinition, double[] cutoffs)

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.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.normalmode.PotentialCalculationSolidSuperCut

getDADBSum, getEnergySum, getPressure1, getPzxy, getVirialSum, setBox, zeroSum

Constructor Detail

PotentialCalculationSolidSuperCutLS

public PotentialCalculationSolidSuperCutLS(Space space,
                                           CoordinateDefinition coordinateDefinition,
                                           double[] cutoffs)

Method Detail

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 PotentialCalculationSolidSuperCut

Parameters:

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

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