Package etomica.potential

Class P2HydrogenHindeAtomic

java.lang.Object

etomica.potential.P2HydrogenHindeAtomic

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P2HydrogenHindeAtomic
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected double[][][]	arep
protected Boundary	boundary
protected double[][]	c5
protected double[][][]	c6
protected double[][][]	c8
protected double[][][][][]	coef
protected Vector	com0
protected Vector	com1
protected double[][][]	crep
protected double[][]	cten
protected Vector	dr
protected Vector	hh0
protected Vector	hh1
protected Vector	n0
protected Vector	n1

Constructor Summary

Constructors

Constructor	Description
P2HydrogenHindeAtomic(Space space)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns the interaction energy between the given atoms.
protected void	fillData()
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.
double	vH2H2(double r, double r1, double r2, double th1, double th2, double phi)

Methods inherited from class java.lang.Object

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

Field Detail

coef

protected final double[][][][][] coef

arep

protected final double[][][] arep

crep

protected final double[][][] crep

c5

protected final double[][] c5

c6

protected final double[][][] c6

c8

protected final double[][][] c8

cten

protected final double[][] cten

boundary

protected Boundary boundary

dr

protected final Vector dr

com0

protected final Vector com0

com1

protected final Vector com1

hh0

protected final Vector hh0

hh1

protected final Vector hh1

n0

protected final Vector n0

n1

protected final Vector n1

Constructor Detail

P2HydrogenHindeAtomic

public P2HydrogenHindeAtomic(Space space)

Method Detail

vH2H2

public double vH2H2(double r,
                    double r1,
                    double r2,
                    double th1,
                    double th2,
                    double phi)

fillData

protected void fillData()

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