public class P2HydrogenPatkowskiAtomic extends java.lang.Object implements IPotentialAtomic
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 and Description |
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P2HydrogenPatkowskiAtomic(ISpace space) |
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) |
protected static final int n_min
protected static final int n_max
protected static final int llex
protected static final int lcex
protected static final int llsp
protected static final int lcsp
protected static final int nex
protected static final int irpowex
protected static final int nsp
protected static final int irpowsp
protected static final int[][] lex
protected static final int[][] lsp
protected final int[][] ldum
protected static final double[] cex
protected static final double[] csp
protected final double[] cdum
protected final double[] f
protected final double[][][][] w3j
protected final int[][] max_l
protected final double[][][][] Vnlll
protected final double[] rrlong
protected final double[][] p
protected final double[][] p1
protected final double[][] p2
protected final double[] rr
protected final double[] elong
protected IBoundary boundary
protected static final double rMin
protected final IVectorMutable dr
protected final IVectorMutable com0
protected final IVectorMutable com1
protected final IVectorMutable hh0
protected final IVectorMutable hh1
protected final IVectorMutable n0
protected final IVectorMutable n1
protected static double[][] xPos
protected boolean print
public java.io.FileWriter file
public P2HydrogenPatkowskiAtomic(ISpace space)
public double vH2H2(double R, double th1, double th2, double phi)
protected double asymp(double R, double th1, double th2, double phi)
protected double d(int n, double beta, double r)
protected double dd(int n, double b, double r)
protected double potentot(double r, double th1, double th2, double phi)
protected void fill3j(int l1max, int l2max, int lmax)
protected void plmrb(double[][] p, double x, int lmax)
protected void fct(int nmax)
protected double cgc(int j1, int m1, int j2, int m2, int j, int m, int ind3j)
protected double al1l2l0(int l1, int l2, int l, double th1, double th2, double phi)
protected void longH2H2(double R, double th1, double th2, double phi, double[] elong)
protected void fill_Vlongdata()
protected double BishopPipin(double R, double dth1, double dth2, double dphi)
public double getRange()
IPotential
getRange
in interface IPotential
public void setBox(IBox box)
IPotential
setBox
in interface IPotential
public int nBody()
IPotential
nBody
in interface IPotential
public double energy(IAtomList atoms)
IPotentialAtomic
energy
in interface IPotentialAtomic