Package etomica.potential

Class P2Tether

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2HardSpherical

etomica.potential.P2Tether

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialHard

public class P2Tether
extends Potential2HardSpherical

Potential that acts like a hard string connecting the centers of two atoms. Meant for use as an intra-molecular interaction. Interaction of atoms is zero if separated by less than the tether length. Atoms undergo an impulsive attractive collision when attempting to separate by more than the tether distance.

Field Summary

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential2HardSpherical

boundary, dr

Constructor Summary

Constructors

Constructor	Description
P2Tether(Space space)
P2Tether(Space space, double tetherLength, boolean ignoreOverlap)

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList pair, double falseTime)	Implements collision dynamics for pair attempting to separate beyond tether distance
double	collisionTime(IAtomList pair, double falseTime)	Time at which two atoms will reach the end of their tether, assuming free-flight kinematics
double	energyChange()	returns change in potential energy due to the last collision
double	getRange()	Returns the tether length.
double	getTetherLength()	Accessor method for the tether distance
Dimension	getTetherLengthDimension()
double	lastCollisionVirial()	Value of the virial from the most recent collision.
Tensor	lastCollisionVirialTensor()	Value of the virial from the most recent collision, decomposed into it tensoral elements.
void	setTetherLength(double t)	Accessor method for the tether distance
double	u(double r2)	Returns infinity if separation is greater than tether distance, zero otherwise

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.Potential2HardSpherical

energy, setBox

Constructor Detail

P2Tether

public P2Tether(Space space)

P2Tether

public P2Tether(Space space,
                double tetherLength,
                boolean ignoreOverlap)

Method Detail

getTetherLength

public double getTetherLength()

Accessor method for the tether distance

setTetherLength

public void setTetherLength(double t)

Accessor method for the tether distance

getTetherLengthDimension

public Dimension getTetherLengthDimension()

bump

public final void bump(IAtomList pair,
                       double falseTime)

Implements collision dynamics for pair attempting to separate beyond tether distance

lastCollisionVirial

public final double lastCollisionVirial()

Description copied from interface: PotentialHard

Value of the virial from the most recent collision.

Returns:

double virial value

lastCollisionVirialTensor

public final Tensor lastCollisionVirialTensor()

Description copied from interface: PotentialHard

Value of the virial from the most recent collision, decomposed into it tensoral elements.

Returns:

Tensor

getRange

public double getRange()

Returns the tether length. The potential range is in fact infinite, but if the integrator is generating configurations correctly, there will be no atoms interacting beyond the tetherlength distance.

Specified by:

getRange in interface IPotential

Specified by:

getRange in class Potential

collisionTime

public final double collisionTime(IAtomList pair,
                                  double falseTime)

Time at which two atoms will reach the end of their tether, assuming free-flight kinematics

u

public double u(double r2)

Returns infinity if separation is greater than tether distance, zero otherwise

Specified by:

u in interface Potential2Spherical

Specified by:

u in class Potential2HardSpherical

Parameters:

r2 - the square of the distance between the particles.

energyChange

public double energyChange()

Description copied from interface: PotentialHard

returns change in potential energy due to the last collision