org.jscience.chemistry.quantum
Class BasisFunctions

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

public class BasisFunctions
extends java.lang.Object

Class to construct basis functions of a given molecule and a basis set

Constructor Summary

BasisFunctions(Molecule molecule, java.lang.String basisName)
Creates a new instance of BasisFunctions

Method Summary

java.util.ArrayList

getBasisFunctions() Getter for property basisFunctions.

Methods inherited from class java.lang.Object

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

Constructor Detail

BasisFunctions

public BasisFunctions(Molecule molecule,
                      java.lang.String basisName)
               throws java.lang.Exception

Creates a new instance of BasisFunctions

Parameters:

molecule - the Molecule whose basis function is requested

basisName - the name of the basis set (like sto3g)

Throws:

java.lang.Exception - DOCUMENT ME!

Method Detail

getBasisFunctions

public java.util.ArrayList getBasisFunctions()

Getter for property basisFunctions.

Returns:

Value of property basisFunctions.