PotentialCalculationSolidSuper

java.lang.Object
- etomica.normalmode.PotentialCalculationSolidSuper

All Implemented Interfaces:

PotentialCalculation
```
public class PotentialCalculationSolidSuper
extends java.lang.Object
implements PotentialCalculation
```
Sums the force on each iterated atom and adds it to the integrator agent associated with the atom.

Field Summary

Fields
Modifier and Type	Field	Description
`protected Boundary`	`boundary`
`protected Box`	`box`
`protected CoordinateDefinition`	`coordinateDefinition`
`protected double`	`d2sum`
`protected double`	`dadbSum`
`protected boolean`	`doD2`
`protected Vector`	`dr`
`protected Vector`	`dr0`
`protected Vector`	`drA`
`protected Vector`	`drB`
`protected Vector`	`drSite0`
`protected Vector`	`drSite1`
`protected double`	`energySum`
`protected double`	`fac1`
`protected Space`	`space`
`protected double`	`virialSum`

Constructor Summary

Constructors
Constructor Description

PotentialCalculationSolidSuper(Space space, CoordinateDefinition coordinateDefinition)

Constructors
Constructor	Description
`PotentialCalculationSolidSuper(Space space, CoordinateDefinition coordinateDefinition)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`void`	`doCalculation(IAtomList atoms, IPotentialAtomic potential)`	Adds forces due to given potential acting on the atoms produced by the iterator.
`double`	`getD2Sum()`
`double`	`getDADBSum()`	Returns sum of Fi dot ri
`double`	`getEnergySum()`
`double`	`getVirialSum()`
`void`	`setBox(Box box)`
`void`	`setDoSecondDerivative(boolean doD2)`
`void`	`zeroSum()`

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

Field Detail

coordinateDefinition

protected final CoordinateDefinition coordinateDefinition

drSite0
```
protected final Vector drSite0
```

drSite1
```
protected final Vector drSite1
```

drA
```
protected final Vector drA
```

dr
```
protected final Vector dr
```

drB
```
protected final Vector drB
```

dr0
```
protected final Vector dr0
```

space
```
protected final Space space
```

virialSum
```
protected double virialSum
```

energySum
```
protected double energySum
```

dadbSum
```
protected double dadbSum
```

fac1
```
protected double fac1
```

box
```
protected Box box
```

boundary
```
protected Boundary boundary
```

doD2
```
protected boolean doD2
```

d2sum
```
protected double d2sum
```

Constructor Detail

PotentialCalculationSolidSuper

public PotentialCalculationSolidSuper(Space space,
                                      CoordinateDefinition coordinateDefinition)

Method Detail
- setDoSecondDerivative
```
public void setDoSecondDerivative(boolean doD2)
```
- doCalculation
```
public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)
```
  Adds forces due to given potential acting on the atoms produced by the iterator. Implemented for only 1- and 2-body potentials.
  
  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.
- getVirialSum
```
public double getVirialSum()
```
- getEnergySum
```
public double getEnergySum()
```
- getDADBSum
```
public double getDADBSum()
```
  Returns sum of Fi dot ri
- getD2Sum
```
public double getD2Sum()
```
- zeroSum
```
public void zeroSum()
```
- setBox
```
public void setBox(Box box)
```

Class PotentialCalculationSolidSuper

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

coordinateDefinition

drSite0

drSite1

drA

dr

drB

dr0

space

virialSum

energySum

dadbSum

fac1

box

boundary

doD2

d2sum

Constructor Detail

PotentialCalculationSolidSuper

Method Detail

setDoSecondDerivative

doCalculation

getVirialSum

getEnergySum

getDADBSum

getD2Sum

zeroSum

setBox