Package etomica.modules.materialfracture

Class P1Tension

java.lang.Object

etomica.modules.materialfracture.P1Tension

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialSoft

public class P1Tension
extends java.lang.Object
implements PotentialSoft

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected Vector[]	force
protected Space	space
protected double	w

Constructor Summary

Constructors

Constructor	Description
P1Tension(Space space)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList a)	Returns the interaction energy between the given atoms.
double	getRange()	Returns the range over which the potential applies.
double	getSpringConstant()
Dimension	getSpringConstantDimension()	Not implemented correctly.
Vector[]	gradient(IAtomList a)	Returns the gradient of the potential as it applies to each atom in the given AtomSet, indicating how the energy would change as the position of the first atom is varied.
Vector[]	gradient(IAtomList a, Tensor t)	Returns the same gradient as gradient(AtomSet) and also adds in the contribution of the AtomSet to the pressureTensor.
int	nBody()	The number of atoms on which the potential depends.
void	setBox(Box newBox)	Informs the potential of the box on which it acts so that it can properly consider the boundaries.
void	setSpringConstant(double springConstant)
double	virial(IAtomList a)

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

w

protected double w

force

protected final Vector[] force

box

protected Box box

Constructor Detail

P1Tension

public P1Tension(Space space)

Method Detail

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

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

setSpringConstant

public void setSpringConstant(double springConstant)

getSpringConstant

public double getSpringConstant()

getSpringConstantDimension

public Dimension getSpringConstantDimension()

Not implemented correctly. Returns dimensionless for spring constant. Should be energy/length^2.

setBox

public void setBox(Box newBox)

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

energy

public double energy(IAtomList a)

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

gradient

public Vector[] gradient(IAtomList a,
                         Tensor t)

Description copied from interface: PotentialSoft

Returns the same gradient as gradient(AtomSet) and also adds in the contribution of the AtomSet to the pressureTensor. Their contribution is added to the given Tensor. This combined method exists for computational efficiency. Calculating the pressureTensor is generally trivial once the gradient is known but often requires intermediate information.

Specified by:

gradient in interface PotentialSoft

gradient

public Vector[] gradient(IAtomList a)

Description copied from interface: PotentialSoft

Returns the gradient of the potential as it applies to each atom in the given AtomSet, indicating how the energy would change as the position of the first atom is varied. The method is allowed to return an array of Vectors with fewer elements than the number of atoms in the AtomSet.

Specified by:

gradient in interface PotentialSoft

Returns:

virial

public double virial(IAtomList a)

Specified by:

virial in interface PotentialSoft