Package etomica.normalmode

Class MeterHarmonicEnergy

java.lang.Object

etomica.data.DataSourceScalar

etomica.normalmode.MeterHarmonicEnergy

All Implemented Interfaces:

IDataSource

public class MeterHarmonicEnergy
extends DataSourceScalar

Meter that calculates the harmonic energy of a configuration given eigenvectors and omegas corresponding to wave vectors.

Field Summary

Fields

Modifier and Type	Field	Description
protected CoordinateDefinition	coordinateDefinition
protected double[][][]	eigenvectors
protected double[]	imaginaryT
protected NormalModes	normalModes
protected double[][]	omegaSquared
protected double[]	realT
protected double[]	waveVectorCoefficients
protected Vector[]	waveVectors

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterHarmonicEnergy(CoordinateDefinition coordinateDefinition, NormalModes normalModes)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
CoordinateDefinition	getCoordinateDefinition()
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
static void	main(java.lang.String[] args)
protected void	setEigenvectors(double[][][] eigenvectors)
protected void	setOmegaSquared(double[][] omega2)
protected void	setWaveVectors(Vector[] newWaveVectors, double[] coefficients)

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Field Detail

coordinateDefinition

protected CoordinateDefinition coordinateDefinition

realT

protected double[] realT

imaginaryT

protected double[] imaginaryT

waveVectors

protected Vector[] waveVectors

waveVectorCoefficients

protected double[] waveVectorCoefficients

eigenvectors

protected double[][][] eigenvectors

omegaSquared

protected double[][] omegaSquared

normalModes

protected NormalModes normalModes

Constructor Detail

MeterHarmonicEnergy

public MeterHarmonicEnergy(CoordinateDefinition coordinateDefinition,
                           NormalModes normalModes)

Method Detail

getCoordinateDefinition

public CoordinateDefinition getCoordinateDefinition()

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

getBox

public Box getBox()

setWaveVectors

protected void setWaveVectors(Vector[] newWaveVectors,
                              double[] coefficients)

setEigenvectors

protected void setEigenvectors(double[][][] eigenvectors)

setOmegaSquared

protected void setOmegaSquared(double[][] omega2)

main

public static void main(java.lang.String[] args)