PotentialCalculationMoleculeAgentSumMinusIdealPair

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

All Implemented Interfaces:: PotentialCalculation

public class PotentialCalculationMoleculeAgentSumMinusIdealPair
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`	`bJ`
`protected double`	`bmu`
`protected double`	`bt`
`protected int`	`count`
`protected Vector`	`ei`
`protected Vector`	`ej`
`protected double`	`J`
`protected double`	`JEEMJEJE`
`protected AtomLeafAgentManager<MoleculeAgent>`	`leafAgentManager`
`protected double`	`mu`
`protected int`	`nMax`
`protected double`	`U_Con`
`protected double`	`U_Map`
`protected double`	`UEE`

Constructor Summary

Constructors
Constructor	Description
`PotentialCalculationMoleculeAgentSumMinusIdealPair(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`	`getSumU_Con()`
`double`	`getSumU_Map()`
`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
```

JEEMJEJE
```
protected double JEEMJEJE
```

UEE
```
protected double UEE
```

U_Map
```
protected double U_Map
```

U_Con
```
protected double U_Con
```

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
```

nMax
```
protected int nMax
```

count
```
protected int count
```

leafAgentManager

protected AtomLeafAgentManager<MoleculeAgent> leafAgentManager

Constructor Detail

PotentialCalculationMoleculeAgentSumMinusIdealPair

public PotentialCalculationMoleculeAgentSumMinusIdealPair(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()
```
- getSumU_Map
```
public double getSumU_Map()
```
- getSumU_Con
```
public double getSumU_Con()
```

Class PotentialCalculationMoleculeAgentSumMinusIdealPair

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

ei

ej

JEEMJEJE

UEE

U_Map

U_Con

mu

J

bt

bJ

bmu

nMax

count

leafAgentManager

Constructor Detail

PotentialCalculationMoleculeAgentSumMinusIdealPair

Method Detail

doCalculation

zeroSum

getSumJEEMJEJE

getSumUEE

getSumU_Map

getSumU_Con