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size_t | get_nr_bands () const |
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size_t | get_nr_k () const |
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size_t | complain_if_k_not_set_up () const |
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size_t | set_nr_bands (size_t nr_bands) |
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virtual void | read (const std::string &filename, int nr_read_bands=-1) |
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virtual void | print (const std::string &filename) const |
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virtual void | setup (Parameter_Map ¶m_map) |
| | setup from command line parameters
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| Band_Structure (const K_Point_List &kpt) |
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| Band_Structure (Parameter_Map ¶m_map) |
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Vec3d | get_k (int i, const Lattice &lat) const |
| | get k-vector; convert from lattice units to 1/nm using the specified lattice
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virtual void | read (const std::string &filename) |
| | read from Quantum Espresso file
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void | print (const std::string &filename) const |
| | print
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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)
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| K_Point_List (Parameter_Map ¶m_map) |
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| K_Point_List (const std::string &filename) |
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Vec3d & | operator[] (size_t i) |
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const Vec3d & | operator[] (size_t i) const |
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size_t | size () const |
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virtual void | resize (size_t i) |
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virtual void | reserve (size_t i) |
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virtual void | push_back (const Vec3d &value) |
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virtual void | clear () |
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List_Class< Vec3d > & | operator= (const std::vector< Vec3d > &Tvec) |
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int | find (Vec3delement) const |
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int | find_check (Vec3delement) const |
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void | add_if_new (Vec3delement) |
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void | add_if_new_check (Vec3delement) |
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std::vector< std::vector< double > > | energy |
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std::vector< Vec3d > | list |
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The documentation for this class was generated from the following files:
- /home/moritz/QNANO_PRODUCTION/qnano_new/include/structure/Band_Structure.h
- /home/moritz/QNANO_PRODUCTION/qnano_new/sources/structure/Band_Structure.cc
Public Member Functions inherited from K_Point_List
1.8.11
