haqchem.cpp File Reference

#include "stdafx.h"
#include "errorip.h"
#include "randomip.h"
#include "hamolecule.h"
#include "hamolset.h"
#include "haatbasdb.h"
#include "haatomorbdb.h"
#include "hapseudopot.h"
#include "haqchem.h"
#include "hamultipole.h"
#include "tokens.h"
#include "hasurface.h"
#include "harlemapp.h"

Functions
int	LInd (int i, int j)

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Detailed Description

Basic Classes to perform Quantum Chemical Calculations in HARLEM.

Author:

Igor Kurnikov , University of Pittsburgh

Date:

1998-2002

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