QNANO
Single_Particle_Eigenvectors.h
1 #ifndef QNANO_DIR_SINGLE_PARTICE_EIGENVECTOR_DEFINED_H
2 #define QNANO_DIR_SINGLE_PARTICE_EIGENVECTOR_DEFINED_H
3 
4 #include "orbitals/Organize_Blocks_By_Orbital_List.h"
5 
10 protected:
11  bool orbitals_set_up;
12 
13 public:
16 
18  std::vector<std::vector<std::complex<double> > > EV;
19  int nr_e, nr_h;
20 
21 
23  void read_EV(int i, const std::string &filename);
25  void setup(Parameter_Map &param_map);
26  bool orbitals_are_set_up()const{return orbitals_set_up;}
27 
28 
29  Single_Particle_Eigenvectors(): orbitals_set_up(false), nr_e(0), nr_h(0) {}
31  : orbitals_set_up(false), nr_e(0), nr_h(0) {
32  setup(param_map);
33  }
34 
35 };
36 #endif
Definition: Parameter_Map.h:12
A &#39;Organize_Blocks&#39; class that can be read from a position file.
Definition: Organize_Blocks_By_Orbital_List.h:10
Definition: Single_Particle_Eigenvectors.h:9
void read_EV(int i, const std::string &filename)
read eigenvector nr. i from file
Definition: Single_Particle_Eigenvectors.cc:46
void setup(Parameter_Map &param_map)
setup from Parameters
Definition: Single_Particle_Eigenvectors.cc:4
Organize_Blocks_By_Orbital_List organize_blocks
Store number of orbitals per atom.
Definition: Single_Particle_Eigenvectors.h:15
std::vector< std::vector< std::complex< double > > > EV
Store a number of eigenstates; first electron states, then hole states.
Definition: Single_Particle_Eigenvectors.h:18