Package etomica.modules.multiharmonic

Class MeterFreeEnergy

java.lang.Object

etomica.data.DataSourceScalar

etomica.modules.multiharmonic.MeterFreeEnergy

All Implemented Interfaces:

IDataSource

public class MeterFreeEnergy
extends DataSourceScalar
implements IDataSource

Computes the free-enery difference through free-energy perturbation. Written specifically for harmonic 1-body potential, but wouldn't be hard to modify for more general cases.

Field Summary

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterFreeEnergy(P1Harmonic reference, P1Harmonic target)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
void	setBox(Box box)

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from interface etomica.data.IDataSource

getData, getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Constructor Detail

MeterFreeEnergy

public MeterFreeEnergy(P1Harmonic reference,
                       P1Harmonic target)

Method Detail

getDataAsScalar

public double getDataAsScalar()

Description copied from class: DataSourceScalar

Returns a single scalar value as the measurement for the given box. Subclasses define this method to specify the measurement they make.

Specified by:

getDataAsScalar in class DataSourceScalar

setBox

public void setBox(Box box)

getBox

public Box getBox()