PotentialCalculationMoleculeAgentSum

java.lang.Object
- etomica.spin.heisenberg.PotentialCalculationMoleculeAgentSum

All Implemented Interfaces:: PotentialCalculation

public class PotentialCalculationMoleculeAgentSum
extends java.lang.Object
implements PotentialCalculation

Anx expressions for computing v_E and v_EE in the mapping.

Field Summary

Fields
Modifier and Type	Field	Description
`protected double`	`AEEJ0`
`protected double[]`	`Axc0`
`protected double[]`	`Axc1`
`protected double[]`	`Axs0`
`protected double[]`	`Axs1`
`protected double[]`	`Ayc0`
`protected double[]`	`Ayc1`
`protected double[]`	`Ays0`
`protected double[]`	`Ays1`
`protected double`	`bJ`
`protected double`	`bmu`
`protected double`	`bt`
`protected int`	`count`
`protected double[]`	`d2Axc0`
`protected double[]`	`d2Axc1`
`protected double[]`	`d2Axs0`
`protected double[]`	`d2Axs1`
`protected double[]`	`d2Ayc0`
`protected double[]`	`d2Ayc1`
`protected double[]`	`d2Ays0`
`protected double[]`	`d2Ays1`
`protected double`	`d2pvx10dt1dt1`
`protected double`	`d2pvx10dt1dt2`
`protected double`	`d2pvx20dt1dt2`
`protected double`	`d2pvx20dt2dt2`
`protected double`	`d2pvy10dt1dt1`
`protected double`	`d2pvy10dt1dt2`
`protected double`	`d2pvy20dt1dt2`
`protected double`	`d2pvy20dt2dt2`
`protected Vector`	`d2vEx`
`protected Vector`	`d2vEy`
`protected double[]`	`d3Axc0`
`protected double[]`	`d3Axs0`
`protected double[]`	`d3Ayc0`
`protected double[]`	`d3Ays0`
`protected double[]`	`dAxc0`
`protected double[]`	`dAxc1`
`protected double[]`	`dAxs0`
`protected double[]`	`dAxs1`
`protected double[]`	`dAyc0`
`protected double[]`	`dAyc1`
`protected double[]`	`dAys0`
`protected double[]`	`dAys1`
`protected double`	`dipoleconv`
`protected double`	`dipolex`
`protected double`	`dipoley`
`protected double`	`dpvx10dt1`
`protected double`	`dpvx10dt2`
`protected double`	`dpvx11dt1`
`protected double`	`dpvx11dt2`
`protected double`	`dpvx20dt1`
`protected double`	`dpvx20dt2`
`protected double`	`dpvx21dt1`
`protected double`	`dpvx21dt2`
`protected double`	`dpvy10dt1`
`protected double`	`dpvy10dt2`
`protected double`	`dpvy11dt1`
`protected double`	`dpvy11dt2`
`protected double`	`dpvy20dt1`
`protected double`	`dpvy20dt2`
`protected double`	`dpvy21dt1`
`protected double`	`dpvy21dt2`
`protected Vector`	`dvEEx`
`protected Vector`	`dvEEy`
`protected Vector`	`dvEx`
`protected Vector`	`dvEy`
`protected Vector`	`ei`
`protected Vector`	`ej`
`protected double`	`fEx`
`protected double`	`fEy`
`protected double`	`force`
`protected double`	`J`
`protected double`	`JEEMJEJE`
`protected double`	`JEEMJEJExtrying`
`protected double`	`JEMUE`
`protected double`	`JEMUEIdealSquare`
`protected double`	`JEMUEx`
`protected double`	`JEMUExIdeal`
`protected double`	`JEMUExSquare`
`protected double`	`JEMUEy`
`protected double`	`JEMUEyIdeal`
`protected double`	`JEMUEySquare`
`protected AtomLeafAgentManager<MoleculeAgent>`	`leafAgentManager`
`protected double`	`mu`
`protected int`	`nMax`
`protected Vector`	`phi`
`protected double`	`pvx10`
`protected double`	`pvx11`
`protected double`	`pvx20`
`protected double`	`pvx21`
`protected double`	`pvy10`
`protected double`	`pvy11`
`protected double`	`pvy20`
`protected double`	`pvy21`
`protected double`	`UEE`
`protected double`	`UEEnow`
`protected Vector`	`vEEx`
`protected Vector`	`vEEy`
`protected Vector`	`vEx`
`protected Vector`	`vEy`

Constructor Summary

Constructors
Constructor	Description
`PotentialCalculationMoleculeAgentSum(Space space, double dipoleMagnitude, double interactionS, double beta, int nMax, AtomLeafAgentManager<MoleculeAgent> leafAgentManager)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`void`	`doCalculation(IAtomList atoms, IPotentialAtomic potential)`	Method giving the specific calculation performed by this class.
`double`	`getSumJEEMJEJE()`
`double`	`getSumUEE()`
`void`	`zeroSum()`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

ei
```
protected Vector ei
```

ej
```
protected Vector ej
```

AEEJ0
```
protected double AEEJ0
```

JEMUExIdeal
```
protected double JEMUExIdeal
```

JEMUEyIdeal
```
protected double JEMUEyIdeal
```

JEMUEIdealSquare
```
protected double JEMUEIdealSquare
```

JEEMJEJE
```
protected double JEEMJEJE
```

UEE
```
protected double UEE
```

JEMUExSquare
```
protected double JEMUExSquare
```

JEMUEySquare
```
protected double JEMUEySquare
```

JEMUEx
```
protected double JEMUEx
```

JEMUEy
```
protected double JEMUEy
```

dipolex
```
protected double dipolex
```

dipoley
```
protected double dipoley
```

JEEMJEJExtrying
```
protected double JEEMJEJExtrying
```

UEEnow
```
protected double UEEnow
```

JEMUE
```
protected double JEMUE
```

dipoleconv
```
protected double dipoleconv
```

mu
```
protected final double mu
```

J
```
protected final double J
```

bt
```
protected final double bt
```

bJ
```
protected final double bJ
```

bmu
```
protected final double bmu
```

Axc0
```
protected double[] Axc0
```

Axs0
```
protected double[] Axs0
```

dAxc0
```
protected double[] dAxc0
```

dAxs0
```
protected double[] dAxs0
```

Axc1
```
protected double[] Axc1
```

Axs1
```
protected double[] Axs1
```

dAxc1
```
protected double[] dAxc1
```

dAxs1
```
protected double[] dAxs1
```

d2Axc0
```
protected double[] d2Axc0
```

d2Axs0
```
protected double[] d2Axs0
```

d3Axc0
```
protected double[] d3Axc0
```

d3Axs0
```
protected double[] d3Axs0
```

d2Axc1
```
protected double[] d2Axc1
```

d2Axs1
```
protected double[] d2Axs1
```

Ayc0
```
protected double[] Ayc0
```

Ays0
```
protected double[] Ays0
```

dAyc0
```
protected double[] dAyc0
```

dAys0
```
protected double[] dAys0
```

Ayc1
```
protected double[] Ayc1
```

Ays1
```
protected double[] Ays1
```

dAyc1
```
protected double[] dAyc1
```

dAys1
```
protected double[] dAys1
```

d2Ayc0
```
protected double[] d2Ayc0
```

d2Ays0
```
protected double[] d2Ays0
```

d3Ayc0
```
protected double[] d3Ayc0
```

d3Ays0
```
protected double[] d3Ays0
```

d2Ayc1
```
protected double[] d2Ayc1
```

d2Ays1
```
protected double[] d2Ays1
```

pvx10
```
protected double pvx10
```

pvx20
```
protected double pvx20
```

dpvx10dt1
```
protected double dpvx10dt1
```

dpvx20dt1
```
protected double dpvx20dt1
```

d2pvx10dt1dt2
```
protected double d2pvx10dt1dt2
```

d2pvx20dt1dt2
```
protected double d2pvx20dt1dt2
```

d2pvx20dt2dt2
```
protected double d2pvx20dt2dt2
```

pvx11
```
protected double pvx11
```

pvx21
```
protected double pvx21
```

dpvx11dt1
```
protected double dpvx11dt1
```

dpvx11dt2
```
protected double dpvx11dt2
```

dpvx21dt1
```
protected double dpvx21dt1
```

dpvx21dt2
```
protected double dpvx21dt2
```

dpvx20dt2
```
protected double dpvx20dt2
```

d2pvx10dt1dt1
```
protected double d2pvx10dt1dt1
```

dpvx10dt2
```
protected double dpvx10dt2
```

pvy10
```
protected double pvy10
```

pvy20
```
protected double pvy20
```

dpvy10dt1
```
protected double dpvy10dt1
```

dpvy20dt1
```
protected double dpvy20dt1
```

d2pvy10dt1dt2
```
protected double d2pvy10dt1dt2
```

d2pvy20dt1dt2
```
protected double d2pvy20dt1dt2
```

d2pvy20dt2dt2
```
protected double d2pvy20dt2dt2
```

pvy11
```
protected double pvy11
```

pvy21
```
protected double pvy21
```

dpvy11dt1
```
protected double dpvy11dt1
```

dpvy11dt2
```
protected double dpvy11dt2
```

dpvy21dt1
```
protected double dpvy21dt1
```

dpvy21dt2
```
protected double dpvy21dt2
```

dpvy20dt2
```
protected double dpvy20dt2
```

d2pvy10dt1dt1
```
protected double d2pvy10dt1dt1
```

dpvy10dt2
```
protected double dpvy10dt2
```

phi
```
protected Vector phi
```

vEx
```
protected Vector vEx
```

vEEx
```
protected Vector vEEx
```

dvEx
```
protected Vector dvEx
```

dvEEx
```
protected Vector dvEEx
```

d2vEx
```
protected Vector d2vEx
```

vEy
```
protected Vector vEy
```

vEEy
```
protected Vector vEEy
```

dvEy
```
protected Vector dvEy
```

dvEEy
```
protected Vector dvEEy
```

d2vEy
```
protected Vector d2vEy
```

fEx
```
protected double fEx
```

fEy
```
protected double fEy
```

force
```
protected double force
```

nMax
```
protected int nMax
```

count
```
protected int count
```

leafAgentManager

protected AtomLeafAgentManager<MoleculeAgent> leafAgentManager

Constructor Detail

PotentialCalculationMoleculeAgentSum

public PotentialCalculationMoleculeAgentSum(Space space,
                                            double dipoleMagnitude,
                                            double interactionS,
                                            double beta,
                                            int nMax,
                                            AtomLeafAgentManager<MoleculeAgent> leafAgentManager)

Method Detail
- doCalculation
```
public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)
```
  Description copied from interface: PotentialCalculation
  
  Method giving the specific calculation performed by this class.
  
  Specified by:
  
  doCalculation in interface PotentialCalculation
  
  Parameters:
  
  atoms - IAtomSet the atom sets for which the calculation is performed.
  
  potential - The potential used to apply the action defined by this class.
- zeroSum
```
public void zeroSum()
```
- getSumJEEMJEJE
```
public double getSumJEEMJEJE()
```
- getSumUEE
```
public double getSumUEE()
```

Class PotentialCalculationMoleculeAgentSum

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

ei

ej

AEEJ0

JEMUExIdeal

JEMUEyIdeal

JEMUEIdealSquare

JEEMJEJE

UEE

JEMUExSquare

JEMUEySquare

JEMUEx

JEMUEy

dipolex

dipoley

JEEMJEJExtrying

UEEnow

JEMUE

dipoleconv

mu

J

bt

bJ

bmu

Axc0

Axs0

dAxc0

dAxs0

Axc1

Axs1

dAxc1

dAxs1

d2Axc0

d2Axs0

d3Axc0

d3Axs0

d2Axc1

d2Axs1

Ayc0

Ays0

dAyc0

dAys0

Ayc1

Ays1

dAyc1

dAys1

d2Ayc0

d2Ays0

d3Ayc0

d3Ays0

d2Ayc1

d2Ays1

pvx10

pvx20

dpvx10dt1

dpvx20dt1

d2pvx10dt1dt2

d2pvx20dt1dt2

d2pvx20dt2dt2

pvx11

pvx21

dpvx11dt1

dpvx11dt2

dpvx21dt1

dpvx21dt2

dpvx20dt2

d2pvx10dt1dt1

dpvx10dt2

pvy10

pvy20

dpvy10dt1

dpvy20dt1

d2pvy10dt1dt2

d2pvy20dt1dt2

d2pvy20dt2dt2