world.h

//
// world.h
//
// Copyright (C) 2014 Edward Valeev
//
// Author: Edward Valeev <evaleev@vt.edu>
// Maintainer: EV
//
// 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.
//
 
#ifdef __GNUG__
#pragma interface
#endif
 
#ifndef _mpqc_src_lib_util_madness_world_h
#define _mpqc_src_lib_util_madness_world_h
 
#include <madness/world/MADworld.h>
#include <util/class/class.h>
#include <util/keyval/keyval.h>
 
#ifdef MADNESS_HAS_ELEMENTAL
#include <elemental.hpp>
#endif // MADNESS_HAS_ELEMENTAL
 
namespace mpqc {
 
  class World : virtual public sc::DescribedClass {
    public:
      World();
      World(const sc::Ref<sc::KeyVal>& kv);
      ~World();
 
      const std::string& key() const { return key_; }
      const madness::World* madworld() const { return world_; }
      madness::World* madworld() { return world_; }
 
 
    private:
      static sc::ClassDesc class_desc_;
 
      std::string key_;
      madness::World* world_;
 
 
  };
 
} // end of namespace sc
 
#endif // end of header guard
 
 
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