org.jscience.chemistry.quantum
Class BasisFunctions

java.lang.Object
  extended by 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.