org.jscience.chemistry.quantum
Class SCFMethodFactory

java.lang.Object
  org.jscience.chemistry.quantum.SCFMethodFactory

public class SCFMethodFactory
extends java.lang.Object

Factory of SCF methods.
Follows a singleton pattern.

Method Summary

static SCFMethodFactory	getInstance() Get an instance (and the only one) of SCFMethodFactory
SCFMethod	getSCFMethod(Molecule molecule, OneElectronIntegrals oneEI, TwoElectronIntegrals twoEI, SCFType type) Return an appropriate class appropriate SCFType

Methods inherited from class java.lang.Object

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

Method Detail

getInstance

public static SCFMethodFactory getInstance()

Get an instance (and the only one) of SCFMethodFactory

Returns:

SCFMethodFactory instance

getSCFMethod

public SCFMethod getSCFMethod(Molecule molecule,
                              OneElectronIntegrals oneEI,
                              TwoElectronIntegrals twoEI,
                              SCFType type)

Return an appropriate class appropriate SCFType

Parameters:

molecule - the molecule for which calculations are to be performed

oneEI - 1E integrals for this molecule at appropriate basis

twoEI - 2E integrals for this molecule at appropriate basis

type - the SCFType instance

Returns:

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Throws:

java.lang.UnsupportedOperationException - DOCUMENT ME!