Package etomica.potential

Class P2Fene

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2SoftSpherical

etomica.potential.P2Fene

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Soft, Potential2Spherical, PotentialSoft

public class P2Fene
extends Potential2SoftSpherical

Finite elastic nonlinear extensible (FENE) spring potential. Intramolecular potential for modeling polymer chains.

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
P2Fene(Space _space)
P2Fene(Space _space, double r0, double amplitude)

Method Summary

Modifier and Type	Method	Description
double	d2u(double r2)	The second derivative of the pair energy, times the square of the separation: r^2 d^2u/dr^2.
double	du(double r2)	The derivative r*du/dr.
double	getAmplitude()
Dimension	getAmplitudeDimension()	Not implemented correctly.
double	getMaximumSeparation()	Accessor method for harmonic energy parameter
Dimension	getMaximumSeparationDimension()
void	setAmplitude(double H)
void	setMaximumSeparation(double r0)	Accessor method for harmonic energy parameter
double	u(double r2)	The pair energy u(r^2) with no truncation applied.
double	uInt(double rC)	Integral used for corrections to potential truncation.

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

P2Fene

public P2Fene(Space _space)

P2Fene

public P2Fene(Space _space,
              double r0,
              double amplitude)

Method Detail

u

public double u(double r2)

Description copied from interface: Potential2Spherical

The pair energy u(r^2) with no truncation applied.

Parameters:

r2 - the square of the distance between the particles.

du

public double du(double r2)

The derivative r*du/dr.

Specified by:

du in interface Potential2Soft

Specified by:

du in class Potential2SoftSpherical

d2u

public double d2u(double r2)

The second derivative of the pair energy, times the square of the separation: r^2 d^2u/dr^2.

Specified by:

d2u in class Potential2SoftSpherical

uInt

public double uInt(double rC)

Integral used for corrections to potential truncation.

Specified by:

uInt in class Potential2SoftSpherical

getAmplitude

public double getAmplitude()

setAmplitude

public void setAmplitude(double H)

getAmplitudeDimension

public Dimension getAmplitudeDimension()

Not implemented correctly. Should be energy/length^3.

getMaximumSeparation

public double getMaximumSeparation()

Accessor method for harmonic energy parameter

setMaximumSeparation

public void setMaximumSeparation(double r0)

Accessor method for harmonic energy parameter

getMaximumSeparationDimension

public Dimension getMaximumSeparationDimension()