Package etomica.potential

Class P1HydrogenMielke

java.lang.Object

etomica.potential.P1HydrogenMielke

All Implemented Interfaces:

IPotential, P1IntraMolecular

Direct Known Subclasses:

P1HydrogenMielke.P1HydrogenMielkeAtomic, P1HydrogenMielke.P2HydrogenMielkeAtomic

public class P1HydrogenMielke
extends java.lang.Object
implements IPotential, P1IntraMolecular

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	P1HydrogenMielke.P1HydrogenMielkeAtomic
static class	P1HydrogenMielke.P2HydrogenMielkeAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected static double	alpha
protected static double	beta
protected Boundary	boundary
protected static double	c10
protected static double	c6
protected static double	c8
protected static double	re
protected static double[]	xlp

Constructor Summary

Constructors

Constructor	Description
P1HydrogenMielke(Space space)

Method Summary

Modifier and Type	Method	Description
double	d2u(double rSim)
double	du(double rSim)
double	getRange()	Returns the range over which the potential applies.
int	nBody()	The number of atoms on which the potential depends.
void	setBox(Box box)	Informs the potential of the box on which it acts so that it can properly consider the boundaries.
double	u(double rSim)

Methods inherited from class java.lang.Object

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

Field Detail

boundary

protected Boundary boundary

c6

protected static final double c6

See Also:

Constant Field Values

c8

protected static final double c8

See Also:

Constant Field Values

c10

protected static final double c10

See Also:

Constant Field Values

beta

protected static final double beta

See Also:

Constant Field Values

re

protected static final double re

See Also:

Constant Field Values

alpha

protected static final double alpha

See Also:

Constant Field Values

xlp

protected static final double[] xlp

Constructor Detail

P1HydrogenMielke

public P1HydrogenMielke(Space space)

Method Detail

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

setBox

public void setBox(Box box)

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

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

u

public double u(double rSim)

Specified by:

u in interface P1IntraMolecular

du

public double du(double rSim)

Specified by:

du in interface P1IntraMolecular

d2u

public double d2u(double rSim)

Specified by:

d2u in interface P1IntraMolecular