Package etomica.models.co2

Class P2CO2H2OWheatley.P2CO2H2OSCTI

java.lang.Object

etomica.models.co2.P2CO2H2OWheatley.P2CO2H2OSCTI

All Implemented Interfaces:

IPotential, IPotentialAtomic

Enclosing class:

P2CO2H2OWheatley

public class P2CO2H2OWheatley.P2CO2H2OSCTI
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	bdrij
protected Vector	drijRot
protected double	fac
protected Vector	ga
protected Vector	gb
protected Vector[]	gi
protected double	mass0
protected double	moment0
protected Vector	moment1
protected Vector	ta
protected Vector	tb
protected double	temperature
protected Vector[]	ti
protected Vector	tTmp

Constructor Summary

Constructors

Constructor	Description
P2CO2H2OSCTI(double temperature)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns the interaction energy between the given atoms.
double	getRange()	Returns the range over which the potential applies.
int	nBody()	The number of atoms on which the potential depends.
void	setBox(Box box)	Informs the potential of the box on which it acts so that it can properly consider the boundaries.

Methods inherited from class java.lang.Object

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

Field Detail

gi

protected final Vector[] gi

ti

protected final Vector[] ti

mass0

protected final double mass0

moment0

protected final double moment0

moment1

protected final Vector moment1

temperature

protected final double temperature

fac

protected final double fac

ga

protected final Vector ga

gb

protected final Vector gb

ta

protected final Vector ta

tb

protected final Vector tb

tTmp

protected final Vector tTmp

drijRot

protected final Vector drijRot

bdrij

protected final Vector bdrij

Constructor Detail

P2CO2H2OSCTI

public P2CO2H2OSCTI(double temperature)

Method Detail

getRange

public double getRange()

Description copied from interface: IPotential

Returns the range over which the potential applies. IAtoms with a greater separation do not interact.

Specified by:

getRange in interface IPotential

setBox

public void setBox(Box box)

Description copied from interface: IPotential

Informs the potential of the box on which it acts so that it can properly consider the boundaries.

Specified by:

setBox in interface IPotential

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

energy

public double energy(IAtomList atoms)

Description copied from interface: IPotentialAtomic

Returns the interaction energy between the given atoms. There might be 0, 1, 2 or more atoms in the AtomSet.

Specified by:

energy in interface IPotentialAtomic