Package etomica.normalmode

Class MeterNormalMode

java.lang.Object

etomica.normalmode.MeterNormalMode

All Implemented Interfaces:

IAction, IDataSource, java.io.Serializable

public class MeterNormalMode
extends java.lang.Object
implements IDataSource, IAction, java.io.Serializable

Calculates the S-matrix for a configuration. This matrix is formed as T(k) T^(-k), where T is the collective generalized-coordinate vector.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected CoordinateDefinition	coordinateDefinition
protected double[]	imaginaryT
protected double[]	realT

Constructor Summary

Constructors

Constructor	Description
MeterNormalMode()

Method Summary

Modifier and Type	Method	Description
void	actionPerformed()	Calculating things and adds terms to the sums
Box	getBox()
int	getCallCount()
CoordinateDefinition	getCoordinateDefinition()
IData	getData()	Returns the DataGroup of S(k) Tensors corresponding to the sum of T(k)*transpose(T(-k)).
IDataInfo	getDataInfo()
java.lang.String	getName()
DataTag	getTag()
WaveVectorFactory	getWaveVectorFactory()
Vector[]	getWaveVectors()
void	reset()	Sets the tensor summation to 0.
void	setBox(Box newBox)	Sets the box, and should be called while the Atoms are in their lattice positions.
void	setCoordinateDefinition(CoordinateDefinition newCoordinateDefinition)	Sets the object that defines the real-space generalized coordinates.
void	setName(java.lang.String newName)
void	setWaveVectorFactory(WaveVectorFactory newWaveVectorFactory)	Sets the object that defines the normal-coordinate wave vectors.

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

Constructor Detail

MeterNormalMode

public MeterNormalMode()

Method Detail

setCoordinateDefinition

public void setCoordinateDefinition(CoordinateDefinition newCoordinateDefinition)

Sets the object that defines the real-space generalized coordinates.

getCoordinateDefinition

public CoordinateDefinition getCoordinateDefinition()

Returns:

the CoordinateDefinition last given via the set method.

setWaveVectorFactory

public void setWaveVectorFactory(WaveVectorFactory newWaveVectorFactory)

Sets the object that defines the normal-coordinate wave vectors.

getWaveVectorFactory

public WaveVectorFactory getWaveVectorFactory()

Returns:

the WaveVectorFactory last given via the set methods.

setBox

public void setBox(Box newBox)

Sets the box, and should be called while the Atoms are in their lattice positions.

getBox

public Box getBox()

getWaveVectors

public Vector[] getWaveVectors()

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource

actionPerformed

public void actionPerformed()

Calculating things and adds terms to the sums

Specified by:

actionPerformed in interface IAction

getData

public IData getData()

Returns the DataGroup of S(k) Tensors corresponding to the sum of T(k)*transpose(T(-k)). To get the average (U), divide by callCount().

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

reset

public void reset()

Sets the tensor summation to 0.

getCallCount

public int getCallCount()

setName

public void setName(java.lang.String newName)

getName

public java.lang.String getName()

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo