Package etomica.normalmode

Class MeterSolidMirror

java.lang.Object

etomica.normalmode.MeterSolidMirror

All Implemented Interfaces:

IDataSource

public class MeterSolidMirror
extends java.lang.Object
implements IDataSource

Meter uses harmonically-mapped averages to compute properties and also couples configurations with their mirror images to obtain cancellation of error at very low temperatures.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected CoordinateDefinition	coordinateDefinition
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected Vector	dr
protected IDataSource	ds
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterSolidMirror(Space space, IDataSource dataSource, CoordinateDefinition coordinateDefinition)

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()
protected void	reflect()
void	setTemperature(double temperature)

Methods inherited from class java.lang.Object

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

Field Detail

ds

protected IDataSource ds

tag

protected final DataTag tag

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data

protected DataDoubleArray data

temperature

protected double temperature

box

protected final Box box

coordinateDefinition

protected final CoordinateDefinition coordinateDefinition

dr

protected final Vector dr

Constructor Detail

MeterSolidMirror

public MeterSolidMirror(Space space,
                        IDataSource dataSource,
                        CoordinateDefinition coordinateDefinition)

Method Detail

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)

reflect

protected void reflect()

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