P2HydrogenPatkowskiAtomic

java.lang.Object
- etomica.potential.P2HydrogenPatkowskiAtomic

All Implemented Interfaces:: IPotential, IPotentialAtomic

public class P2HydrogenPatkowskiAtomic
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields
Modifier and Type	Field and Description
`protected IBoundary`	`boundary`
`protected double[]`	`cdum`
`protected static double[]`	`cex`
`protected IVectorMutable`	`com0`
`protected IVectorMutable`	`com1`
`protected static double[]`	`csp`
`protected IVectorMutable`	`dr`
`protected double[]`	`elong`
`protected double[]`	`f`
`java.io.FileWriter`	`file`
`protected IVectorMutable`	`hh0`
`protected IVectorMutable`	`hh1`
`protected static int`	`irpowex`
`protected static int`	`irpowsp`
`protected static int`	`lcex`
`protected static int`	`lcsp`
`protected int[][]`	`ldum`
`protected static int[][]`	`lex`
`protected static int`	`llex`
`protected static int`	`llsp`
`protected static int[][]`	`lsp`
`protected int[][]`	`max_l`
`protected static int`	`n_max`
`protected static int`	`n_min`
`protected IVectorMutable`	`n0`
`protected IVectorMutable`	`n1`
`protected static int`	`nex`
`protected static int`	`nsp`
`protected double[][]`	`p`
`protected double[][]`	`p1`
`protected double[][]`	`p2`
`protected boolean`	`print`
`protected static double`	`rMin`
`protected double[]`	`rr`
`protected double[]`	`rrlong`
`protected double[][][][]`	`Vnlll`
`protected double[][][][]`	`w3j`
`protected static double[][]`	`xPos`

Constructor Summary

Constructors
Constructor and Description

P2HydrogenPatkowskiAtomic(ISpace space)

Constructors
Constructor and Description
`P2HydrogenPatkowskiAtomic(ISpace space)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method and Description
`protected double`	`al1l2l0(int l1, int l2, int l, double th1, double th2, double phi)`
`protected double`	`asymp(double R, double th1, double th2, double phi)`
`protected double`	`BishopPipin(double R, double dth1, double dth2, double dphi)`
`protected double`	`cgc(int j1, int m1, int j2, int m2, int j, int m, int ind3j)`
`protected double`	`d(int n, double beta, double r)`
`protected double`	`dd(int n, double b, double r)`
`double`	`energy(IAtomList atoms)` Returns the interaction energy between the given atoms.
`protected void`	`fct(int nmax)`
`protected void`	`fill_Vlongdata()`
`protected void`	`fill3j(int l1max, int l2max, int lmax)`
`double`	`getRange()` Returns the range over which the potential applies.
`protected void`	`longH2H2(double R, double th1, double th2, double phi, double[] elong)`
`int`	`nBody()` The number of atoms on which the potential depends.
`protected void`	`plmrb(double[][] p, double x, int lmax)`
`protected double`	`potentot(double r, double th1, double th2, double phi)`
`void`	`setBox(IBox box)` Informs the potential of the box on which it acts so that it can properly consider the boundaries.
`double`	`vH2H2(double R, double th1, double th2, double phi)`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

n_min
```
protected static final int n_min
```
See Also:

Constant Field Values

n_max
```
protected static final int n_max
```
See Also:

Constant Field Values

llex
```
protected static final int llex
```
See Also:

Constant Field Values

lcex
```
protected static final int lcex
```
See Also:

Constant Field Values

llsp
```
protected static final int llsp
```
See Also:

Constant Field Values

lcsp
```
protected static final int lcsp
```
See Also:

Constant Field Values

nex
```
protected static final int nex
```
See Also:

Constant Field Values

irpowex
```
protected static final int irpowex
```
See Also:

Constant Field Values

nsp
```
protected static final int nsp
```
See Also:

Constant Field Values

irpowsp
```
protected static final int irpowsp
```
See Also:

Constant Field Values

lex
```
protected static final int[][] lex
```

lsp
```
protected static final int[][] lsp
```

ldum
```
protected final int[][] ldum
```

cex
```
protected static final double[] cex
```

csp
```
protected static final double[] csp
```

cdum
```
protected final double[] cdum
```

f
```
protected final double[] f
```

w3j
```
protected final double[][][][] w3j
```

max_l
```
protected final int[][] max_l
```

Vnlll
```
protected final double[][][][] Vnlll
```

rrlong
```
protected final double[] rrlong
```

p
```
protected final double[][] p
```

p1
```
protected final double[][] p1
```

p2
```
protected final double[][] p2
```

rr
```
protected final double[] rr
```

elong
```
protected final double[] elong
```

boundary
```
protected IBoundary boundary
```

rMin
```
protected static final double rMin
```
See Also:

Constant Field Values

dr
```
protected final IVectorMutable dr
```

com0
```
protected final IVectorMutable com0
```

com1
```
protected final IVectorMutable com1
```

hh0
```
protected final IVectorMutable hh0
```

hh1
```
protected final IVectorMutable hh1
```

n0
```
protected final IVectorMutable n0
```

n1
```
protected final IVectorMutable n1
```

xPos
```
protected static double[][] xPos
```

print
```
protected boolean print
```

file
```
public java.io.FileWriter file
```

Constructor Detail

P2HydrogenPatkowskiAtomic

public P2HydrogenPatkowskiAtomic(ISpace space)

Method Detail

vH2H2

public double vH2H2(double R,
                    double th1,
                    double th2,
                    double phi)

asymp

protected double asymp(double R,
                       double th1,
                       double th2,
                       double phi)

d

protected double d(int n,
                   double beta,
                   double r)

dd

protected double dd(int n,
                    double b,
                    double r)

potentot

protected double potentot(double r,
                          double th1,
                          double th2,
                          double phi)

fill3j

protected void fill3j(int l1max,
                      int l2max,
                      int lmax)

plmrb

protected void plmrb(double[][] p,
                     double x,
                     int lmax)

fct
```
protected void fct(int nmax)
```

cgc

protected double cgc(int j1,
                     int m1,
                     int j2,
                     int m2,
                     int j,
                     int m,
                     int ind3j)

al1l2l0

protected double al1l2l0(int l1,
                         int l2,
                         int l,
                         double th1,
                         double th2,
                         double phi)

longH2H2

protected void longH2H2(double R,
                        double th1,
                        double th2,
                        double phi,
                        double[] elong)

fill_Vlongdata
```
protected void fill_Vlongdata()
```

BishopPipin

protected double BishopPipin(double R,
                             double dth1,
                             double dth2,
                             double dphi)

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(IBox 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

energy
```
public double energy(IAtomList atoms)
```
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

Class P2HydrogenPatkowskiAtomic

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

n_min

n_max

llex

lcex

llsp

lcsp

nex

irpowex

nsp

irpowsp

lex

lsp

ldum

cex

csp

cdum

f

w3j

max_l

Vnlll

rrlong

p

p1

p2

rr

elong

boundary

rMin

dr

com0

com1

hh0

hh1

n0

n1

xPos

print

file

Constructor Detail

P2HydrogenPatkowskiAtomic

Method Detail

vH2H2

asymp

d

dd

potentot

fill3j

plmrb

fct

cgc

al1l2l0

longH2H2

fill_Vlongdata

BishopPipin

getRange

setBox

nBody

energy