taclhf.hpp

//
// taclhf.hpp
//
// Copyright (C) 2013 Drew Lewis
//
// Authors: Drew Lewis
// Maintainer: Drew Lewis and Edward Valeev
//
// This file is part of the MPQC Toolkit.
//
// The MPQC 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 MPQC 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 MPQC 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 _MPQC_CHEMISTRY_QC_SCF_TACLHF_HPP_
#define _MPQC_CHEMISTRY_QC_SCF_TACLHF_HPP_
 
#include <chemistry/qc/scf/taclscf.hpp>
#include <chemistry/qc/scf/gengine_base.hpp>
 
namespace mpqc {
  namespace TA {
    class CLHF: public CLSCF {
    public:
      typedef CLSCF::TAMatrix TAMatrix;
      CLHF(const sc::Ref<sc::KeyVal> &kval);
 
 
    protected:
      virtual TAMatrix& scf_ao_fock_() override final;
 
      virtual void compute_ao_fock(double) override final;
 
      // G matrix engine
      sc::Ref<GEngineBase> G_eng;
 
      GEngineBase::TAMatrix
      G(const std::string s);
 
    private:
      static sc::ClassDesc class_desc_;
    };
  // class CLHF
 
  }// namespace TA
} // namespace mpqc
 
#endif /* _MPQC_CHEMISTRY_QC_SCF_TACLHF_HPP_ */