Hartree_Fock.h

#ifndef QNANO_NEW_HARTREE_FOCK_DEFINED_H
#define QNANO_NEW_HARTREE_FOCK_DEFINED_H

#include "tools/Tensor2.h"
#include "manybody/Manybody_Hamiltonian.h"


class Hartree_Fock: public virtual Sparse_Matrix_Generator, public virtual Organize_Blocks_Single{
public:

  Manybody_Hamiltonian Hmb;
 
  Tensor2 dense_e;
  Tensor2 dense_h;
  Tensor2 Veff_e;
  Tensor2 Veff_h;
  bool current_e;


  int get_rank_e()const{return Hmb.hilbert->get_rank_e();}
  int get_rank_h()const{return Hmb.hilbert->get_rank_h();}
  int get_nr_e()const{return Hmb.hilbert->get_nr_e();}
  int get_nr_h()const{return Hmb.hilbert->get_nr_h();}

  void update_Veff_e();
  void update_Veff_h();
  void switch_to_solve_e();
  void switch_to_solve_h();
  double correction_e();
  double correction_h();

  double calculate_total_energy()const;

  void setup(Parameter_Map &param_map);

  virtual void get_Matrix_row_block(  std::vector< col_val > & col_val_vec, const int atom_index);



  Hartree_Fock(){
  }
  Hartree_Fock(Parameter_Map &param_map){
    setup(param_map);
  }
};

#endif