PotentialCalculation
, PotentialCalculationMolecular
public class PotentialCalculationFSum extends java.lang.Object implements PotentialCalculationMolecular
Modifier and Type | Field | Description |
---|---|---|
protected double |
bt |
|
protected DipoleSource |
dipoleSource |
|
protected Vector |
dr |
|
protected Vector |
ei |
|
protected Vector |
ej |
|
protected double |
FSum |
|
protected double |
J |
|
protected double |
mu |
Constructor | Description |
---|---|
PotentialCalculationFSum(Space space,
double dipoleMagnitude,
double interactionS,
double beta) |
Modifier and Type | Method | Description |
---|---|---|
void |
doCalculation(IAtomList atoms,
IPotentialAtomic potential) |
Method giving the specific calculation performed by this class.
|
void |
doCalculation(IMoleculeList molecules,
IPotentialMolecular potential) |
Method giving the specific calculation performed by this class.
|
double |
getSum() |
|
void |
setDipoleSource(DipoleSource newDipoleSource) |
|
void |
zeroSum() |
protected Vector ei
protected Vector ej
protected final double mu
protected final double J
protected final double bt
protected Vector dr
protected double FSum
protected DipoleSource dipoleSource
public PotentialCalculationFSum(Space space, double dipoleMagnitude, double interactionS, double beta)
public void doCalculation(IAtomList atoms, IPotentialAtomic potential)
PotentialCalculation
doCalculation
in interface PotentialCalculation
atoms
- IAtomSet the atom sets for which the calculation is performed.potential
- The potential used to apply the action defined by this class.public void doCalculation(IMoleculeList molecules, IPotentialMolecular potential)
PotentialCalculationMolecular
doCalculation
in interface PotentialCalculationMolecular
molecules
- IAtomSet the atom sets for which the calculation is performed.potential
- The potential used to apply the action defined by this class.public void setDipoleSource(DipoleSource newDipoleSource)
public void zeroSum()
public double getSum()