QCAm1 Class Reference

#include <QCAm1.hpp>

Inheritance diagram for QCAm1:

Inheritance graph
[legend]
List of all members.

Detailed Description

Class of the semi-empirical quantum model AM1.

Class of the semi-empirical quantum model AM1 :
Austin Model 1. Historally, this model is an evolution of MNDO.
Hence, in the oriented object QC++ analysis, it appears like a derivated class
of CQCMndo. AM1 is just a different parametrization of PM3, but it's
the same set of equations.

Definition at line 40 of file QCAm1.hpp.

Public Member Functions

 QCAm1 (const int &nbAOsp, const int &nbAOspd)
virtual ~QCAm1 (void)


Constructor & Destructor Documentation

QCAm1::QCAm1 const int &  nbAOsp,
const int &  nbAOspd
 

Definition at line 29 of file QCAm1.cpp.

QCAm1::~QCAm1 void   )  [virtual]
 

Definition at line 39 of file QCAm1.cpp.


The documentation for this class was generated from the following files:
Generated on Sat Jan 28 21:07:33 2006 for QC++ by  doxygen 1.4.4