IPotential, IPotentialAtomicpublic class PotentialCommonAtomic extends java.lang.Object implements IPotentialAtomic
| Modifier and Type | Field | Description |
|---|---|---|
protected Box |
box1 |
|
protected long |
lastBoxIndex |
|
protected long |
lastPairID |
|
protected int |
nBody |
|
protected boolean[] |
pairDone |
|
protected IPotentialAtomic |
pot |
|
protected boolean[] |
tripletDone |
|
protected double[] |
uPair |
|
protected double[] |
uTriplet |
| Constructor | Description |
|---|---|
PotentialCommonAtomic(IPotentialAtomic pot1) |
| Modifier and Type | Method | Description |
|---|---|---|
double |
energy(IAtomList atoms) |
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 IPotentialAtomic pot
protected boolean[] pairDone
protected boolean[] tripletDone
protected long lastPairID
protected long lastBoxIndex
protected Box box1
protected double[] uPair
protected double[] uTriplet
protected int nBody
public PotentialCommonAtomic(IPotentialAtomic pot1)
public double getRange()
IPotentialgetRange in interface IPotentialpublic void setBox(Box box)
IPotentialsetBox in interface IPotentialpublic int nBody()
IPotentialnBody in interface IPotentialpublic double energy(IAtomList atoms)
IPotentialAtomicenergy in interface IPotentialAtomic