Package etomica.lattice

Class LatticeSumCrystal

java.lang.Object

etomica.lattice.LatticeSumCrystal

public class LatticeSumCrystal
extends java.lang.Object

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
class	LatticeSumCrystal.DataGroupLSC	Helper class that encapsulates the complex basis-basis data in a manner that permits easy access to real and imaginary components for a given pair of basis elements.

Constructor Summary

Constructors

Constructor	Description
LatticeSumCrystal(BravaisLatticeCrystal lattice)

Method Summary

Modifier and Type	Method	Description
DataGroup	calculateSum(FunctionData<java.lang.Object> function)
IndexIterator	getIterator()
Vector	getK()
SpaceLattice	getLattice()
int	getMaxLatticeShell()
void	setK(Vector k)
void	setMaxLatticeShell(int maxElement)	Specifies the largest index element that will be included in the lattice sum.

Methods inherited from class java.lang.Object

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

Constructor Detail

LatticeSumCrystal

public LatticeSumCrystal(BravaisLatticeCrystal lattice)

Method Detail

calculateSum

public DataGroup calculateSum(FunctionData<java.lang.Object> function)

setK

public void setK(Vector k)

getK

public Vector getK()

getIterator

public IndexIterator getIterator()

getLattice

public SpaceLattice getLattice()

getMaxLatticeShell

public int getMaxLatticeShell()

setMaxLatticeShell

public void setMaxLatticeShell(int maxElement)

Specifies the largest index element that will be included in the lattice sum. Default is 50.