Coulomb_Matrix_Elements_Calculator.h

#ifndef QNANO_NEW_COULOMB_MATRIX_ELEMENT_CALCULATOR_DEFINED_H
#define QNANO_NEW_COULOMB_MATRIX_ELEMENT_CALCULATOR_DEFINED_H

#include "tools/Static_Const_Member.h"
#include "eigen/include_Eigen.h"
#include "MPI/Distribute_EV.h"
#include "manybody/Coulomb_Matrix_Elements.h"
#include "coulomb/Coulomb_Onsite_Storage_List.h"
#include "tools/QNANO_Constants.h"

class Coulomb_Matrix_Elements_Calculator{
public:

  Coulomb_Matrix_Elements mat_elem;

  void add_longrange(const Atom_List & atlist, \
                const Distribute_EV_List &EV_e, \
                const Distribute_EV_List &EV_h, \
                int nr_e, int nr_h, \
                double epsilon, int nrblocks, int verbosity=1);


  void add_onsite(const Atom_List & atlist, \
                const Coulomb_Onsite_Storage_List &onsite_storage_list, \
                const Distribute_EV_List &EV_e, \
                const Distribute_EV_List &EV_h, \
                int nr_e, int nr_h, \
                double epsilon, int verbosity=1);

   
  void MPI_Reduce_to_Node0();


  Coulomb_Matrix_Elements_Calculator() {}
  Coulomb_Matrix_Elements_Calculator(Coulomb_Matrix_Elements::Type type, int nr_e, int nr_h) : mat_elem(type, nr_e, nr_h){
  }

};


#endif