etomica.modules.droplet

Class P1Smash

java.lang.Object

etomica.modules.droplet.P1Smash

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialSoft

public class P1Smash
extends java.lang.Object
implements PotentialSoft

Gravity-like potential that pushes the molecules toward the center.

Field Summary

Fields

Modifier and Type	Field and Description
protected double	g
protected IVectorMutable[]	gradient

Constructor Summary

Constructors

Constructor and Description
P1Smash(ISpace space)

Method Summary

Modifier and Type	Method and Description
double	energy(IAtomList atoms) Returns the interaction energy between the given atoms.
double	getG()
double	getRange() Returns the range over which the potential applies.
IVector[]	gradient(IAtomList atoms) 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.
IVector[]	gradient(IAtomList atoms, Tensor pressureTensor) 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(IBox newBox) Informs the potential of the box on which it acts so that it can properly consider the boundaries.
void	setG(double newG)
double	virial(IAtomList atoms)

Methods inherited from class java.lang.Object

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

Field Detail

gradient

protected final IVectorMutable[] gradient

g

protected double g

Constructor Detail

P1Smash

public P1Smash(ISpace space)

Method Detail

setBox

public void setBox(IBox newBox)

Description copied from interface: etomica.api.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

nBody

public int nBody()

Description copied from interface: etomica.api.IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

setG

public void setG(double newG)

getG

public double getG()

virial

public double virial(IAtomList atoms)

Specified by:

virial in interface PotentialSoft

gradient

public IVector[] gradient(IAtomList atoms,
                          Tensor pressureTensor)

Description copied from interface: etomica.potential.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 IVector[] gradient(IAtomList atoms)

Description copied from interface: etomica.potential.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:

energy

public double energy(IAtomList atoms)

Description copied from interface: etomica.api.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

getRange

public double getRange()

Description copied from interface: etomica.api.IPotential

Returns the range over which the potential applies. IAtoms with a greater separation do not interact.

Specified by:

getRange in interface IPotential