SimulatedAnnealing.h

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/* 
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 * Copyright (C) 2014-2015  Ward Poelmans
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 * This file is part of v2DM-DOCI.
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#ifndef SIM_ANNEAL_H
#define SIM_ANNEAL_H

#include <random>

#include "Method.h"
#include "Hamiltonian.h"
#include "UnitaryMatrix.h"
#include "OrbitalTransform.h"

namespace doci2DM {
class PotentialReduction;
class BoundaryPoint;
}

namespace simanneal
{ 

class SimulatedAnnealing
{
   public:
      SimulatedAnnealing(const CheMPS2::Hamiltonian &);

      SimulatedAnnealing(CheMPS2::Hamiltonian &&);

      virtual ~SimulatedAnnealing();

      bool accept_function(double);

      void optimize();

      void optimize_mpi();

      double calc_new_energy();

      void calc_energy();

      double get_energy() const;

      void Set_max_angle(double);

      void Set_delta_angle(double);

      void Set_start_temp(double);

      void Set_delta_temp(double);

      simanneal::UnitaryMatrix& get_Optimal_Unitary();

      CheMPS2::Hamiltonian& getHam() const;

      OrbitalTransform& getOrbitalTf() const;

      doci2DM::Method& getMethod() const;

      void UseBoundaryPoint();

      void UsePotentialReduction();

      doci2DM::PotentialReduction& getMethod_PR() const;

      doci2DM::BoundaryPoint& getMethod_BP() const;

   private:

      std::unique_ptr<doci2DM::Method> method;

      std::unique_ptr<CheMPS2::Hamiltonian> ham;

      std::unique_ptr<simanneal::OrbitalTransform> orbtrans;

      std::unique_ptr<simanneal::UnitaryMatrix> opt_unitary;

      double energy;
      double start_temp;
      double delta_temp;
      double delta_angle;
      double max_angle;
      unsigned int steps;
      unsigned int max_steps;

      double cur_temp;

      unsigned int unaccepted;

      bool stop_running;

      std::random_device rd;
      std::mt19937_64 mt;
};

}

#endif /* SIM_ANNEAL_H */

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