Package etomica.potential

Class P2Yukawa

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2SoftSpherical

etomica.potential.P2Yukawa

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Soft, Potential2Spherical, PotentialSoft

public final class P2Yukawa
extends Potential2SoftSpherical

Yukawa interatomic potential. U(r) = Vo * exp(-K * r) / r where Vo is the potential's energy parameter and K is the characteristic distance (1/K is a measure for the screening length).

Field Summary

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential2SoftSpherical

boundary, dr, gradient

Constructor Summary

Constructors

Constructor	Description
P2Yukawa(Space _space)
P2Yukawa(Space _space, double kappa, double vzero)

Method Summary

Modifier and Type	Method	Description
double	d2u(double r2)	r^2 * d^2u/dr^2 method.
double	du(double r2)	r * du/dr method.
double	getKappa()	Accessor methods for size and energy parameters.
double	getVZero()
void	setKappa(double k)	Mutator methods for size and energy parameters.
void	setVZero(double v)
double	u(double r2)	Energy method.
double	uInt(double rC)	Integral from rC to infinity.

Methods inherited from interface etomica.potential.IPotential

nBody

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.Potential

nBody

Methods inherited from class etomica.potential.Potential2SoftSpherical

energy, getRange, gradient, gradient, hyperVirial, integral, setBox, virial

Constructor Detail

P2Yukawa

public P2Yukawa(Space _space)

P2Yukawa

public P2Yukawa(Space _space,
                double kappa,
                double vzero)

Method Detail

u

public double u(double r2)

Energy method. u(double r) form.

Parameters:

r2 - the square of the distance between the particles.

du

public double du(double r2)

r * du/dr method.

Specified by:

du in interface Potential2Soft

Specified by:

du in class Potential2SoftSpherical

d2u

public double d2u(double r2)

r^2 * d^2u/dr^2 method.

Specified by:

d2u in class Potential2SoftSpherical

uInt

public double uInt(double rC)

Integral from rC to infinity.

Specified by:

uInt in class Potential2SoftSpherical

getKappa

public double getKappa()

Accessor methods for size and energy parameters.

getVZero

public double getVZero()

setKappa

public final void setKappa(double k)

Mutator methods for size and energy parameters.

setVZero

public final void setVZero(double v)