Inheritance diagram for K_Point_List:

Collaboration diagram for K_Point_List:

Public Member Functions
Vec3d	get_k (int i, const Lattice &lat) const
	get k-vector; convert from lattice units to 1/nm using the specified lattice

virtual void	setup (Parameter_Map &param_map)
	setup from command line parameters

virtual void	read (const std::string &filename)
	read from Quantum Espresso file

void	print (const std::string &filename) const
	print

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)

	K_Point_List (Parameter_Map &param_map)

	K_Point_List (const std::string &filename)

Public Member Functions inherited from List_Class< Vec3d >
Vec3d &	operator[] (size_t i)

const Vec3d &	operator[] (size_t i) const

size_t	size () const

virtual void	resize (size_t i)

virtual void	reserve (size_t i)

virtual void	push_back (const Vec3d &value)

virtual void	clear ()

List_Class< Vec3d > &	operator= (const std::vector< Vec3d > &Tvec)

int	find (Vec3delement) const

int	find_check (Vec3delement) const

void	add_if_new (Vec3delement)

void	add_if_new_check (Vec3delement)

Additional Inherited Members
Public Attributes inherited from List_Class< Vec3d >
std::vector< Vec3d >	list

Detailed Description

Class to store a list of k-points for band structure plotting. NOTE: stored are k-points in lattice units. Use get_k to extract k-vectors in 1/nm !

The documentation for this class was generated from the following files:

Public Member Functions