Orbital_Index Class Reference

#include <Orbital_Index.h>

Classes
class	Orbnames
	Names of orbitals. More...

Public Member Functions
	operator int () const
	operator std::string () const
	Orbital_Index (int orb_, bool spinup_=false)
	Orbital_Index (const std::string &name, bool spinup_=false)

Static Public Member Functions
static int	max_nr_orbs ()
static int	max_nr_orbs_per_spin ()
static bool	is_valid (int orb)
static void	quit_if_invalid (int orb)
static std::string	ud_suffix (int orb)
static std::string	get_name (int i, bool withspin=false)
static const std::vector< std::string > &	get_names_nospin (int i)
static std::string	get_name_nospin (int i)
static std::string	get_group_name (int i)
static int	get_index (const std::string &str_)
static int	get_index_check (const std::string &str)

Public Attributes
int	selected

Detailed Description

Class to access supported orbitals by name.

The list of ints maps a counting integer to the types of orbitals. Example: full spds*: list: {0,1,2,...9}, spinless=false Example: graphene: list: {3}, spinless=true

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

• /home/moritz/QNANO_PRODUCTION/qnano_new/include/orbitals/Orbital_Index.h
• /home/moritz/QNANO_PRODUCTION/qnano_new/sources/orbitals/Orbital_Index.cc