Metropolis.hpp

/*
 dmcut2, a library for Monte-Carlo simulations at surfaces
 Copyright (C) 2008 Mathias Laurin <mathias_laurin@users.sourceforge.net>
 
 This program is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
 the Free Software Foundation; either version 2 of the License, or
 (at your option) any later version.
 
 This program 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 General Public License for more details.
 
 You should have received a copy of the GNU General Public License along
 with this program; if not, write to the Free Software Foundation, Inc.,
 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
 */
#ifndef METROPOLIS_HPP
#define METROPOLIS_HPP

#include "Arrhenius.hpp"
#include "Lattice.hpp"

namespace Algorithms {
        
        class Metropolis {
        public: 
                Metropolis(Surface::Lattice::iterator first, 
                                   Surface::Lattice::iterator last,
                                   const Interactions::TwoBody::Geometry& neighbors):    
                first_(first), last_(last),
                neighbors_(neighbors), species_(Surface::Species("Any species", 0))
                { };
                
                Metropolis(Surface::Lattice::iterator first, 
                                   Surface::Lattice::iterator last,
                                   const Interactions::TwoBody::Geometry& neighbors,     
                                   const Surface::Species species): 
                first_(first), last_(last),
                neighbors_(neighbors), species_(species)
                { };
                
                void operator()() const;
                
        private:
                
                Surface::Site* get_origin() const;
                
                Surface::Site* get_destination(const Surface::Site* origin_ptr) const;
                
                Surface::Lattice::iterator first_, last_;
                
                Interactions::TwoBody::Geometry neighbors_;
                
                Surface::Species species_;
        };
        
} // namespace Algorithms

#endif

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