1 #ifndef QNANO_NEW_KPOINT_LIST_DEFINED_H 2 #define QNANO_NEW_KPOINT_LIST_DEFINED_H 4 #include "tools/List_Class.h" 5 #include "structure/Lattice.h" 6 #include "tools/Parameter_Map.h" 21 virtual void read(
const std::string &filename);
23 void print(
const std::string &filename)
const;
Definition: Parameter_Map.h:12
Class to store positions and to handle operations on 3d vectors.
Definition: Vec3d.h:9
Definition: List_Class.h:8
void print(const std::string &filename) const
print
Definition: K_Point_List.cc:99
Definition: K_Point_List.h:13
virtual void setup(Parameter_Map ¶m_map)
setup from command line parameters
Definition: K_Point_List.cc:7
Vec3d get_k(int i, const Lattice &lat) const
get k-vector; convert from lattice units to 1/nm using the specified lattice
Definition: K_Point_List.cc:3
virtual void read(const std::string &filename)
read from Quantum Espresso file
Definition: K_Point_List.cc:49
void add_path(const Vec3d &from, const Vec3d &to, int N)
add path with N equidistant sample points excluding the point 'to' (Quantum Espresso convention) ...
Definition: K_Point_List.cc:108