mp2extrap.h

//
// mp2extrap.h
//
// Copyright (C) 1998 Limit Point Systems, Inc.
//
// Author: Curtis Janssen <cljanss@limitpt.com>
// Maintainer: LPS
//
// This file is part of the SC Toolkit.
//
// The SC Toolkit is free software; you can redistribute it and/or modify
// it under the terms of the GNU Library General Public License as published by
// the Free Software Foundation; either version 2, or (at your option)
// any later version.
//
// The SC Toolkit is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU Library General Public License for more details.
//
// You should have received a copy of the GNU Library General Public License
// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
//
// The U.S. Government is granted a limited license as per AL 91-7.
//
 
#ifndef _chemistry_qc_mbpt_mp2extrap_h
#define _chemistry_qc_mbpt_mp2extrap_h
 
#ifdef __GNUC__
#pragma interface
#endif
 
#include <chemistry/molecule/energy.h>
 
namespace sc {
 
class MP2BasisExtrap: public SumMolecularEnergy {
  protected:
    void compute();
  public:
    MP2BasisExtrap(const Ref<KeyVal> &);
    MP2BasisExtrap(StateIn&);
    ~MP2BasisExtrap();
 
    void save_data_state(StateOut&);
};
 
}
 
#endif
 
// Local Variables:
// mode: c++
// c-file-style: "CLJ"
// End: