Package etomica.data.meter

Class MeterRMSD

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterRMSD

All Implemented Interfaces:

IDataSource

public class MeterRMSD
extends DataSourceScalar

Measured root mean squared displacement of all atoms in the box. This meter will properly track atoms across periodic boundaries so long as atoms do not move more than L/2 between calls to the meter.

Created by andrew on 6/15/17.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected Vector	dr
protected Vector	drTmp
protected Vector[]	lastPosition
protected Vector[]	originalPosition

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterRMSD(Box box, Space space)

Method Summary

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

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

box

protected final Box box

originalPosition

protected final Vector[] originalPosition

lastPosition

protected final Vector[] lastPosition

dr

protected final Vector dr

drTmp

protected final Vector drTmp

Constructor Detail

MeterRMSD

public MeterRMSD(Box box,
                 Space space)

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