SIRIUS 7.5.0
Electronic structure library and applications
sirius::Free_atom Member List

This is the complete list of members for sirius::Free_atom, including all inherited members.

Atom_type_base(Atom_type_base const &src)=delete (defined in sirius::Atom_type_base)sirius::Atom_type_baseprotected
Atom_type_base(int zn__)sirius::Atom_type_baseinline
Atom_type_base(std::string symbol__)sirius::Atom_type_baseinline
atomic_level(int idx) const (defined in sirius::Atom_type_base)sirius::Atom_type_baseinline
atomic_level_energy(int ist__) const (defined in sirius::Free_atom)sirius::Free_atominline
atomic_levels_sirius::Atom_type_baseprotected
enu_sirius::Free_atomprivate
find_new_rho(std::vector< double > const &veff__, bool rel__) (defined in sirius::Free_atom)sirius::Free_atominlineprivate
find_potential() (defined in sirius::Free_atom)sirius::Free_atominlineprivate
Free_atom(Free_atom &&src)=default (defined in sirius::Free_atom)sirius::Free_atom
Free_atom(int zn__)sirius::Free_atominline
Free_atom(std::string symbol__)sirius::Free_atominline
free_atom_density_sirius::Atom_type_baseprotected
free_atom_density_spline_sirius::Atom_type_baseprotected
free_atom_electronic_potential(double x) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_electronic_potential() const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_electronic_potential_sirius::Free_atomprivate
free_atom_orbital_density(int ir, int ist) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_orbital_density_sirius::Free_atomprivate
free_atom_radial_grid() constsirius::Atom_type_baseinline
free_atom_radial_grid(int ir) constsirius::Atom_type_baseinline
free_atom_radial_grid_sirius::Atom_type_baseprotected
free_atom_wave_function(int ir, int ist) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_wave_function(int ist__) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_wave_function_residual(int ist__) constsirius::Free_atominline
free_atom_wave_function_x(int ist__) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_wave_function_x_deriv(int ist__) const (defined in sirius::Free_atom)sirius::Free_atominline
free_atom_wave_functions_sirius::Free_atomprivate
free_atom_wave_functions_x_sirius::Free_atomprivate
free_atom_wave_functions_x_deriv_sirius::Free_atomprivate
generate_local_orbitals(std::string const &recipe__) (defined in sirius::Free_atom)sirius::Free_atominline
ground_state(double energy_tol, double charge_tol, bool rel)sirius::Free_atominline
init()sirius::Atom_type_baseinlineprivate
mass() constsirius::Atom_type_baseinline
mass_sirius::Atom_type_baseprotected
name() constsirius::Atom_type_baseinline
name_sirius::Atom_type_baseprotected
NIST_LDA_Etot_sirius::Free_atomprivate
NIST_ScRLDA_Etot_sirius::Free_atomprivate
num_atomic_levels() constsirius::Atom_type_baseinline
operator=(Atom_type_base &src)=delete (defined in sirius::Atom_type_base)sirius::Atom_type_baseprotected
radial_grid_points() const (defined in sirius::Free_atom)sirius::Free_atominline
symbol() constsirius::Atom_type_baseinline
symbol_sirius::Atom_type_baseprotected
zn() constsirius::Atom_type_baseinline
zn(int zn__)sirius::Atom_type_baseinline
zn_sirius::Atom_type_baseprotected