IPotential
, IPotentialAtomic
public class P2NitrogenHellmann.P2N2QFH extends java.lang.Object implements IPotentialAtomic
Modifier and Type | Field | Description |
---|---|---|
protected Vector[] |
allOr0 |
|
protected Vector[] |
allOr1 |
|
double[][] |
d2tot |
|
protected Vector |
drijRot |
|
protected double |
fac |
|
protected Vector[][] |
gi |
|
protected Tensor |
identity |
|
protected Tensor |
ijRTensor |
|
protected Tensor |
ijTensor |
|
protected Vector |
or01 |
|
protected Vector |
or02 |
|
protected Vector |
or11 |
|
protected Vector |
or12 |
|
protected Tensor |
rot0 |
|
protected Tensor |
rot1 |
|
protected Tensor |
rr0Tensor |
|
protected Tensor |
rr1Tensor |
|
protected Tensor |
rTensor0 |
|
protected Tensor |
rTensor1 |
|
protected double |
temperature |
|
protected Tensor |
tt0Tensor |
|
protected Tensor |
tt1Tensor |
Constructor | Description |
---|---|
P2N2QFH(double temperature) |
Modifier and Type | Method | Description |
---|---|---|
double |
energy(IAtomList atoms) |
Returns the interaction energy between the given atoms.
|
protected void |
getPerp(Vector or,
Vector perp1,
Vector perp2) |
|
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[][] gi
protected final Tensor tt0Tensor
protected final Tensor tt1Tensor
protected final Tensor rr0Tensor
protected final Tensor rr1Tensor
protected final Tensor ijTensor
protected final Tensor rTensor0
protected final Tensor rTensor1
protected final Tensor identity
protected final Tensor ijRTensor
protected final Tensor rot0
protected final Tensor rot1
protected final Vector or01
protected final Vector or11
protected final Vector or02
protected final Vector or12
protected final Vector[] allOr0
protected final Vector[] allOr1
protected final Vector drijRot
public double[][] d2tot
protected final double temperature
protected final double fac
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(IAtomList atoms)
IPotentialAtomic
energy
in interface IPotentialAtomic