Package etomica.normalmode

Class LatticeSumMolecularCrystal

java.lang.Object

etomica.normalmode.LatticeSumMolecularCrystal

public class LatticeSumMolecularCrystal
extends java.lang.Object

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static interface	LatticeSumMolecularCrystal.AtomicTensorAtomicPair

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomLeafAgentManager<Vector>	atomAgentManager
protected IMoleculePositionDefinition	atomPosDef
protected Box	box
protected Vector	com0
protected Vector	com1
protected WaveVectorFactorySimple	kFactory
protected PotentialMaster	potentialMaster
protected Space	space
protected Tensor[]	tmpAtomicTensor3
protected Tensor	tmpDrr1

Constructor Summary

Constructors

Constructor	Description
LatticeSumMolecularCrystal(PotentialMaster potentialMaster, Box box, Space space, int basisDim, Primitive primitive)

Method Summary

Modifier and Type	Method	Description
protected Tensor	atomicToMolecularD(LatticeSumMolecularCrystal.AtomicTensorAtomicPair aTensor, IMolecule mol0, IMolecule mol1)
Tensor[][][][]	calculateSum(LatticeSumMolecularCrystal.AtomicTensorAtomicPair atomicTensorAtomicPair)
WaveVectorFactorySimple	getWaveVectorFactory()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

box

protected final Box box

space

protected final Space space

atomPosDef

protected IMoleculePositionDefinition atomPosDef

com0

protected final Vector com0

com1

protected final Vector com1

kFactory

protected WaveVectorFactorySimple kFactory

tmpAtomicTensor3

protected final Tensor[] tmpAtomicTensor3

potentialMaster

protected PotentialMaster potentialMaster

atomAgentManager

protected AtomLeafAgentManager<Vector> atomAgentManager

tmpDrr1

protected Tensor tmpDrr1

Constructor Detail

LatticeSumMolecularCrystal

public LatticeSumMolecularCrystal(PotentialMaster potentialMaster,
                                  Box box,
                                  Space space,
                                  int basisDim,
                                  Primitive primitive)

Method Detail

calculateSum

public Tensor[][][][] calculateSum(LatticeSumMolecularCrystal.AtomicTensorAtomicPair atomicTensorAtomicPair)

atomicToMolecularD

protected Tensor atomicToMolecularD(LatticeSumMolecularCrystal.AtomicTensorAtomicPair aTensor,
                                    IMolecule mol0,
                                    IMolecule mol1)

getWaveVectorFactory

public WaveVectorFactorySimple getWaveVectorFactory()