Package etomica.data.meter

Class MeterKineticEnergyRigid

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterKineticEnergyRigid

All Implemented Interfaces:

IDataSource

public class MeterKineticEnergyRigid
extends DataSourceScalar

Meter for the total kinetic energy in a box Computes total KE by summing values of KE returned by every atom in the box. Kinetic energy for rigid molecules is calculated based on the its translational and rotational energy.

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	angularVelocity
protected Box	box
protected RotationTensor3D	rotationTensor
protected Simulation	sim

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterKineticEnergyRigid(Space space, Simulation sim)
MeterKineticEnergyRigid(Space space, Simulation sim, Box box)

Method Summary

Modifier and Type	Method	Description
Box	getBox()
double	getDataAsScalar()	Returns the total kinetic energy summed over all atoms produced by the iterator when applied to the given box.
void	setBox(Box newBox)	Sets the box to 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

sim

protected final Simulation sim

box

protected Box box

angularVelocity

protected final Vector angularVelocity

rotationTensor

protected final RotationTensor3D rotationTensor

Constructor Detail

MeterKineticEnergyRigid

public MeterKineticEnergyRigid(Space space,
                               Simulation sim)

MeterKineticEnergyRigid

public MeterKineticEnergyRigid(Space space,
                               Simulation sim,
                               Box box)

Method Detail

getDataAsScalar

public double getDataAsScalar()

Returns the total kinetic energy summed over all atoms produced by the iterator when applied to the given box. Does not include contributions from atoms having infinite mass (it assumes they are stationary).

Specified by:

getDataAsScalar in class DataSourceScalar

setBox

public void setBox(Box newBox)

Sets the box to the given box.

getBox

public Box getBox()

Returns:

Returns the box.