QNANO
Band_Structure.h
1 #ifndef QNANO_NEW_BAND_STRUCTURE_DEFINED_H_
2 #define QNANO_NEW_BAND_STRUCTURE_DEFINED_H_
3 
4 #include "structure/K_Point_List.h"
5 
7 public:
8  std::vector<std::vector<double> > energy;
9  size_t get_nr_bands()const{return energy.size();}
10  size_t get_nr_k()const{return list.size();}
11 
12  size_t complain_if_k_not_set_up()const;
13  size_t set_nr_bands(size_t nr_bands);
14 
15  virtual void read(const std::string &filename, int nr_read_bands=-1);
16  virtual void print(const std::string &filename)const;
17 
18  virtual void setup(Parameter_Map &param_map);
19 
20  Band_Structure(const K_Point_List &kpt){
21  list=kpt.list;
22  }
23  Band_Structure(Parameter_Map &param_map){
24  setup(param_map);
25  }
26 };
27 
28 #endif
Definition: Parameter_Map.h:12
Definition: K_Point_List.h:13
virtual void setup(Parameter_Map &param_map)
setup from command line parameters
Definition: Band_Structure.cc:57
Definition: Band_Structure.h:6