Package etomica.potential

Class P2WCAP

java.lang.Object

etomica.potential.P2WCAP

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical

public class P2WCAP
extends java.lang.Object
implements Potential2Spherical

LJ potential minus WCA.

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dr

Constructor Summary

Constructors

Constructor	Description
P2WCAP(Space space)	Constructs potential using default sigma and epsilon given by Default class.
P2WCAP(Space space, double sigma, double epsilon)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Energy of the pair as given by the u(double) method
double	getEpsilon()	Accessor method for the energy parameter
Dimension	getEpsilonDimension()
double	getRange()	Returns the range of the potential, which is the point of truncation.
double	getSigma()	Accessor method for the size parameter.
Dimension	getSigmaDimension()
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.
void	setEpsilon(double eps)	Mutator method for the energy parameter
void	setSigma(double s)	Mutator method for Lennard-Jones size parameter.
double	u(double r2)	The energy u.

Methods inherited from class java.lang.Object

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

Field Detail

boundary

protected Boundary boundary

dr

protected final Vector dr

Constructor Detail

P2WCAP

public P2WCAP(Space space)

Constructs potential using default sigma and epsilon given by Default class.

P2WCAP

public P2WCAP(Space space,
              double sigma,
              double epsilon)

Method Detail

getRange

public double getRange()

Returns the range of the potential, which is the point of truncation. This is equal to 2^(1/6) * sigma.

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)

Energy of the pair as given by the u(double) method

Specified by:

energy in interface IPotentialAtomic

u

public double u(double r2)

The energy u.

Specified by:

u in interface Potential2Spherical

Parameters:

r2 - the square of the distance between the particles.

getSigma

public double getSigma()

Accessor method for the size parameter.

setSigma

public final void setSigma(double s)

Mutator method for Lennard-Jones size parameter. Does not adjust potential cutoff for change in sigma.

getSigmaDimension

public Dimension getSigmaDimension()

getEpsilon

public double getEpsilon()

Accessor method for the energy parameter

setEpsilon

public final void setEpsilon(double eps)

Mutator method for the energy parameter

getEpsilonDimension

public Dimension getEpsilonDimension()