Package etomica.freeenergy.npath

Class PotentialCalculationDUDW

java.lang.Object

etomica.freeenergy.npath.PotentialCalculationDUDW

All Implemented Interfaces:

PotentialCalculation

public class PotentialCalculationDUDW
extends java.lang.Object
implements PotentialCalculation

Potential calculation whose sole purpose in life is to invoke getDUDW Created by andrew on 5/8/17.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	sum

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationDUDW()

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Method giving the specific calculation performed by this class.
double	getSum()
void	reset()

Methods inherited from class java.lang.Object

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

Field Detail

sum

protected double sum

Constructor Detail

PotentialCalculationDUDW

public PotentialCalculationDUDW()

Method Detail

reset

public void reset()

getSum

public double getSum()

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Description copied from interface: PotentialCalculation

Method giving the specific calculation performed by this class.

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.