Package etomica.normalmode

Class MeterSolidDACut

java.lang.Object

etomica.normalmode.MeterSolidDACut

All Implemented Interfaces:

IDataSource

public class MeterSolidDACut
extends java.lang.Object
implements IDataSource

Meter for evaluation of the soft-potential pressure in a box. Requires that temperature be set in order to calculation ideal-gas contribution to pressure; default is to use zero temperature, which causes this contribution to be omitted.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected double[]	bpRes
protected double[]	bpResDADv2
protected CoordinateDefinition	coordinteDefinition
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected int	dim
protected double[]	latticeEnergy
protected double[]	latticeEnergyDADv2
protected double[]	latticePressure
protected double[]	latticePressureDADv2
protected PotentialMaster	potentialMaster
protected PotentialMaster	potentialMasterDADv2
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterSolidDACut(Space space, PotentialMaster potentialMaster, CoordinateDefinition coordinateDefinition, double[] cutoffs)

Method Summary

Modifier and Type	Method	Description
IData	getData()	Computes total pressure in box by summing virial over all pairs, and adding ideal-gas contribution.
IDataInfo	getDataInfo()
DataTag	getTag()
void	setBPRes(double[] bpRes)
void	setPotentialMasterDADv2(PotentialMaster potentialMasterDADv2, double[] bpResDADv2)
void	setTemperature(double temperature)

Methods inherited from class java.lang.Object

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

Field Detail

dim

protected final int dim

tag

protected final DataTag tag

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data

protected DataDoubleArray data

potentialMaster

protected final PotentialMaster potentialMaster

potentialMasterDADv2

protected PotentialMaster potentialMasterDADv2

temperature

protected double temperature

latticeEnergy

protected double[] latticeEnergy

latticePressure

protected double[] latticePressure

latticeEnergyDADv2

protected double[] latticeEnergyDADv2

latticePressureDADv2

protected double[] latticePressureDADv2

box

protected final Box box

bpRes

protected double[] bpRes

bpResDADv2

protected double[] bpResDADv2

coordinteDefinition

protected final CoordinateDefinition coordinteDefinition

Constructor Detail

MeterSolidDACut

public MeterSolidDACut(Space space,
                       PotentialMaster potentialMaster,
                       CoordinateDefinition coordinateDefinition,
                       double[] cutoffs)

Method Detail

setPotentialMasterDADv2

public void setPotentialMasterDADv2(PotentialMaster potentialMasterDADv2,
                                    double[] bpResDADv2)

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

setTemperature

public void setTemperature(double temperature)

setBPRes

public void setBPRes(double[] bpRes)

getData

public IData getData()

Computes total pressure in box by summing virial over all pairs, and adding ideal-gas contribution.

Specified by:

getData in interface IDataSource

Returns:

the data given by this source