Package etomica.freeenergy.npath

Class DataSourceEnergies.PotentialCalculationEnergies

java.lang.Object

etomica.potential.PotentialCalculationEnergySum

etomica.freeenergy.npath.DataSourceEnergies.PotentialCalculationEnergies

All Implemented Interfaces:

PotentialCalculation, PotentialCalculationMolecular

Direct Known Subclasses:

DataSourceEnergies.PotentialCalculationEnergiesEAM

Enclosing class:

DataSourceEnergies

public static class DataSourceEnergies.PotentialCalculationEnergies
extends PotentialCalculationEnergySum

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected double	sum1
protected double	sum2

Fields inherited from class etomica.potential.PotentialCalculationEnergySum

debug, sum

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationEnergies()

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Adds to the energy sum the energy values obtained from application of the given potential to the atoms.
double	getSum()	Returns the current value of the energy sum.
double	getSum1()
double	getSum2()
void	zeroSum()	Sets the energy sum to zero, typically to begin a new energy-sum calculation.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialCalculationEnergySum

doCalculation

Field Detail

sum1

protected double sum1

sum2

protected double sum2

Constructor Detail

PotentialCalculationEnergies

public PotentialCalculationEnergies()

Method Detail

getSum1

public double getSum1()

getSum2

public double getSum2()

getSum

public double getSum()

Description copied from class: PotentialCalculationEnergySum

Returns the current value of the energy sum.

Overrides:

getSum in class PotentialCalculationEnergySum

zeroSum

public void zeroSum()

Description copied from class: PotentialCalculationEnergySum

Sets the energy sum to zero, typically to begin a new energy-sum calculation.

Overrides:

zeroSum in class PotentialCalculationEnergySum

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Description copied from class: PotentialCalculationEnergySum

Adds to the energy sum the energy values obtained from application of the given potential to the atoms.

Specified by:

doCalculation in interface PotentialCalculation

Overrides:

doCalculation in class PotentialCalculationEnergySum

Parameters:

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

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