SIRIUS
7.5.0
Electronic structure library and applications
sirius
Free_atom
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_base
protected
Atom_type_base
(int zn__)
sirius::Atom_type_base
inline
Atom_type_base
(std::string symbol__)
sirius::Atom_type_base
inline
atomic_level
(int idx) const (defined in
sirius::Atom_type_base
)
sirius::Atom_type_base
inline
atomic_level_energy
(int ist__) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
atomic_levels_
sirius::Atom_type_base
protected
enu_
sirius::Free_atom
private
find_new_rho
(std::vector< double > const &veff__, bool rel__) (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
private
find_potential
() (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
private
Free_atom
(Free_atom &&src)=default (defined in
sirius::Free_atom
)
sirius::Free_atom
Free_atom
(int zn__)
sirius::Free_atom
inline
Free_atom
(std::string symbol__)
sirius::Free_atom
inline
free_atom_density_
sirius::Atom_type_base
protected
free_atom_density_spline_
sirius::Atom_type_base
protected
free_atom_electronic_potential
(double x) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_electronic_potential
() const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_electronic_potential_
sirius::Free_atom
private
free_atom_orbital_density
(int ir, int ist) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_orbital_density_
sirius::Free_atom
private
free_atom_radial_grid
() const
sirius::Atom_type_base
inline
free_atom_radial_grid
(int ir) const
sirius::Atom_type_base
inline
free_atom_radial_grid_
sirius::Atom_type_base
protected
free_atom_wave_function
(int ir, int ist) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_wave_function
(int ist__) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_wave_function_residual
(int ist__) const
sirius::Free_atom
inline
free_atom_wave_function_x
(int ist__) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_wave_function_x_deriv
(int ist__) const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
free_atom_wave_functions_
sirius::Free_atom
private
free_atom_wave_functions_x_
sirius::Free_atom
private
free_atom_wave_functions_x_deriv_
sirius::Free_atom
private
generate_local_orbitals
(std::string const &recipe__) (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
ground_state
(double energy_tol, double charge_tol, bool rel)
sirius::Free_atom
inline
init
()
sirius::Atom_type_base
inline
private
mass
() const
sirius::Atom_type_base
inline
mass_
sirius::Atom_type_base
protected
name
() const
sirius::Atom_type_base
inline
name_
sirius::Atom_type_base
protected
NIST_LDA_Etot_
sirius::Free_atom
private
NIST_ScRLDA_Etot_
sirius::Free_atom
private
num_atomic_levels
() const
sirius::Atom_type_base
inline
operator=
(Atom_type_base &src)=delete (defined in
sirius::Atom_type_base
)
sirius::Atom_type_base
protected
radial_grid_points
() const (defined in
sirius::Free_atom
)
sirius::Free_atom
inline
symbol
() const
sirius::Atom_type_base
inline
symbol_
sirius::Atom_type_base
protected
zn
() const
sirius::Atom_type_base
inline
zn
(int zn__)
sirius::Atom_type_base
inline
zn_
sirius::Atom_type_base
protected
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