IPotential
, IPotentialMolecular
public class PNCO2GCPM.P3GCPMAxilrodTeller extends java.lang.Object implements IPotentialMolecular
Modifier and Type | Field | Description |
---|---|---|
static double |
anx |
|
protected Vector |
bveci |
|
protected Vector |
bvecj |
|
protected Vector |
bveck |
|
protected double[] |
cosg |
|
static double |
dpolx |
|
protected Vector |
norm |
|
double |
nufac0 |
|
protected Vector |
rij |
|
protected Vector |
rik |
|
protected Vector |
rjk |
|
protected Vector |
xveci |
|
protected Vector |
xvecj |
|
protected Vector |
xveck |
|
protected double[] |
xx |
|
protected Vector |
yveci |
|
protected Vector |
yvecj |
|
protected Vector |
yveck |
|
protected double[] |
yy |
|
protected double[] |
zz |
Constructor | Description |
---|---|
P3GCPMAxilrodTeller(Space space) |
Modifier and Type | Method | Description |
---|---|---|
double |
energy(IMoleculeList molecules) |
Returns the interaction energy between the given atoms.
|
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.
|
protected final Vector rij
protected final Vector rik
protected final Vector rjk
protected final Vector bveci
protected final Vector bvecj
protected final Vector bveck
protected final double[] cosg
protected final Vector norm
protected final Vector xveci
protected final Vector xvecj
protected final Vector xveck
protected final Vector yveci
protected final Vector yvecj
protected final Vector yveck
protected final double[] xx
protected final double[] yy
protected final double[] zz
public static final double dpolx
public static final double anx
public final double nufac0
public P3GCPMAxilrodTeller(Space space)
public double getRange()
IPotential
getRange
in interface IPotential
public void setBox(Box box)
IPotential
setBox
in interface IPotential
public int nBody()
IPotential
nBody
in interface IPotential
public double energy(IMoleculeList molecules)
IPotentialMolecular
energy
in interface IPotentialMolecular