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 and Description
static interface	LatticeSumMolecularCrystal.AtomicTensorAtomicPair

Field Summary

Fields

Modifier and Type	Field and Description
protected AtomLeafAgentManager	atomAgentManager
protected IAtomPositionDefinition	atomPosDef
protected IBox	box
protected IVectorMutable	com0
protected IVectorMutable	com1
protected WaveVectorFactorySimple	kFactory
protected IPotentialMaster	potentialMaster
protected ISpace	space
protected Tensor[]	tmpAtomicTensor3
protected Tensor	tmpDrr1

Constructor Summary

Constructors

Constructor and Description
LatticeSumMolecularCrystal(IPotentialMaster potentialMaster, IBox box, ISpace space, int basisDim, Primitive primitive)

Method Summary

Modifier and Type	Method and 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 IBox box

space

protected final ISpace space

atomPosDef

protected IAtomPositionDefinition atomPosDef

com0

protected final IVectorMutable com0

com1

protected final IVectorMutable com1

kFactory

protected WaveVectorFactorySimple kFactory

tmpAtomicTensor3

protected final Tensor[] tmpAtomicTensor3

potentialMaster

protected IPotentialMaster potentialMaster

atomAgentManager

protected AtomLeafAgentManager atomAgentManager

tmpDrr1

protected Tensor tmpDrr1

Constructor Detail

LatticeSumMolecularCrystal

public LatticeSumMolecularCrystal(IPotentialMaster potentialMaster,
                                  IBox box,
                                  ISpace 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()