Package etomica.modules.colloid

Class P2SquareWellMonomer

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2HardSpherical

etomica.potential.P2SquareWell

etomica.modules.colloid.P2SquareWellMonomer

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialHard

public class P2SquareWellMonomer
extends P2SquareWell

Field Summary

Fields

Modifier and Type	Field	Description
protected double	bondFac
protected AtomLeafAgentManager	bondManager
protected int	chainLength
protected double	rGraftMin2

Fields inherited from class etomica.potential.P2SquareWell

coreDiameter, coreDiameterSquared, dv, epsilon, ignoreOverlap, lambda, lastCollisionVirial, lastCollisionVirialr2, lastCollisionVirialTensor, lastEnergyChange, wellDiameter, wellDiameterSquared

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential2HardSpherical

boundary, dr

Constructor Summary

Constructors

Constructor	Description
P2SquareWellMonomer(Space space, AtomLeafAgentManager bondManager)

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList pair, double falseTime)	Implements collision dynamics between two square-well atoms.
double	collisionTime(IAtomList pair, double falseTime)	Computes next time of collision of two square-well atoms, assuming free-flight kinematics.
double	energy(IAtomList pair)	Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential.
double	getBondFac()
void	setBondFac(double newBondFac)
void	setChainLength(int newChainLength)
void	setRGraftMin(double rGraftMin)

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.P2SquareWell

energyChange, getCoreDiameter, getCoreDiameterDimension, getEpsilon, getEpsilonDimension, getLambda, getLambdaDimension, getRange, lastCollisionVirial, lastCollisionVirialTensor, setCoreDiameter, setEpsilon, setLambda, u

Methods inherited from class etomica.potential.Potential

nBody

Methods inherited from class etomica.potential.Potential2HardSpherical

setBox

Field Detail

chainLength

protected int chainLength

rGraftMin2

protected double rGraftMin2

bondManager

protected final AtomLeafAgentManager bondManager

bondFac

protected double bondFac

Constructor Detail

P2SquareWellMonomer

public P2SquareWellMonomer(Space space,
                           AtomLeafAgentManager bondManager)

Method Detail

setRGraftMin

public void setRGraftMin(double rGraftMin)

setChainLength

public void setChainLength(int newChainLength)

energy

public double energy(IAtomList pair)

Description copied from class: Potential2HardSpherical

Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential. This does not take into account any false positioning that the Integrator may be using.

Specified by:

energy in interface IPotentialAtomic

Overrides:

energy in class Potential2HardSpherical

collisionTime

public double collisionTime(IAtomList pair,
                            double falseTime)

Computes next time of collision of two square-well atoms, assuming free-flight kinematics. Collision may occur when cores collides, or when wells first encounter each other on approach, or when they edge of the wells are reached as atoms diverge.

Specified by:

collisionTime in interface PotentialHard

Overrides:

collisionTime in class P2SquareWell

bump

public void bump(IAtomList pair,
                 double falseTime)

Description copied from class: P2SquareWell

Implements collision dynamics between two square-well atoms. Includes all possibilities involving collision of hard cores, and collision of wells both approaching and diverging

Specified by:

bump in interface PotentialHard

Overrides:

bump in class P2SquareWell

setBondFac

public void setBondFac(double newBondFac)

getBondFac

public double getBondFac()