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SIRIUS 7.5.0
Electronic structure library and applications
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This is the complete list of members for sirius::Potential, including all inherited members.
| add_delta_mag_xc(double d__) (defined in sirius::Potential) | sirius::Potential | inline |
| add_delta_mag_xc_ | sirius::Potential | private |
| add_delta_rho_xc(double d__) (defined in sirius::Potential) | sirius::Potential | inline |
| add_delta_rho_xc_ | sirius::Potential | private |
| add_mt_contribution_to_pw() (defined in sirius::Potential) | sirius::Potential | |
| aux_bf_ (defined in sirius::Potential) | sirius::Potential | private |
| calc_PAW_hartree_potential(Atom &atom, Flm const &full_density, Flm &full_potential) (defined in sirius::Potential) | sirius::Potential | private |
| calc_PAW_local_Dij(typename atom_index_t::global ia__, sddk::mdarray< double, 3 > &paw_dij__) (defined in sirius::Potential) | sirius::Potential | private |
| calc_PAW_local_potential(typename atom_index_t::global ia__, std::vector< Flm const * > ae_density, std::vector< Flm const * > ps_density) | sirius::Potential | private |
| calc_PAW_one_elec_energy(Atom const &atom__, sddk::mdarray< double, 2 > const &density_matrix__, sddk::mdarray< double, 3 > const &paw_dij__) const (defined in sirius::Potential) | sirius::Potential | private |
| check_potential_continuity_at_mt() (defined in sirius::Potential) | sirius::Potential | |
| comm_ | sirius::Potential | private |
| component(int i) (defined in sirius::Field4D) | sirius::Field4D | inline |
| component(int i) const (defined in sirius::Field4D) | sirius::Field4D | inline |
| component_raise(int i) | sirius::Field4D | inline |
| components_ | sirius::Field4D | private |
| ctx() (defined in sirius::Field4D) | sirius::Field4D | inline |
| ctx() const (defined in sirius::Field4D) | sirius::Field4D | inline |
| ctx_ (defined in sirius::Field4D) | sirius::Field4D | protected |
| dveff() (defined in sirius::Potential) | sirius::Potential | inline |
| dveff_ | sirius::Potential | private |
| effective_magnetic_field(int i) (defined in sirius::Potential) | sirius::Potential | inline |
| effective_magnetic_field(int i) const (defined in sirius::Potential) | sirius::Potential | inline |
| effective_potential() (defined in sirius::Potential) | sirius::Potential | inline |
| effective_potential() const (defined in sirius::Potential) | sirius::Potential | inline |
| effective_potential_mt(atom_index_t::local ialoc) const (defined in sirius::Potential) | sirius::Potential | inline |
| energy_exc(Density const &density__) const | sirius::Potential | inline |
| energy_vha() const (defined in sirius::Potential) | sirius::Potential | inline |
| energy_vha_ (defined in sirius::Potential) | sirius::Potential | private |
| energy_vxc(Density const &density__) const | sirius::Potential | inline |
| energy_vxc_core(Density const &density__) const | sirius::Potential | inline |
| fft_transform(int direction__) (defined in sirius::Field4D) | sirius::Field4D | inline |
| Field4D(Simulation_context &ctx__, lmax_t lmax__, std::array< periodic_function_ptr_t< double > const *, 4 > ptr__={nullptr, nullptr, nullptr, nullptr}) | sirius::Field4D | inline |
| gamma_factors_R_ (defined in sirius::Potential) | sirius::Potential | private |
| generate(Density const &density__, bool use_sym__, bool transform_to_rg__) | sirius::Potential | |
| generate_D_operator_matrix() | sirius::Potential | |
| generate_local_potential() | sirius::Potential | inlineprivate |
| generate_PAW_effective_potential(Density const &density) (defined in sirius::Potential) | sirius::Potential | |
| generate_pw_coefs() | sirius::Potential | |
| gvec_ylm_ (defined in sirius::Potential) | sirius::Potential | private |
| hartree_potential() (defined in sirius::Potential) | sirius::Potential | inline |
| hartree_potential_ | sirius::Potential | private |
| hartree_potential_mt(atom_index_t::local ialoc) const (defined in sirius::Potential) | sirius::Potential | inline |
| hubbard_potential() (defined in sirius::Potential) | sirius::Potential | inline |
| hubbard_potential() const (defined in sirius::Potential) | sirius::Potential | inline |
| hubbard_potential_ | sirius::Potential | private |
| init_PAW() (defined in sirius::Potential) | sirius::Potential | private |
| is_gradient_correction() const (defined in sirius::Potential) | sirius::Potential | |
| l_by_lm_ (defined in sirius::Potential) | sirius::Potential | private |
| load(std::string name__) (defined in sirius::Potential) | sirius::Potential | |
| local_potential() (defined in sirius::Potential) | sirius::Potential | inline |
| local_potential() const (defined in sirius::Potential) | sirius::Potential | inline |
| local_potential_ | sirius::Potential | private |
| mt_components() (defined in sirius::Field4D) | sirius::Field4D | inline |
| paw_ae_exc_ | sirius::Potential | private |
| paw_dij_ | sirius::Potential | private |
| paw_hartree_total_energy_ | sirius::Potential | private |
| PAW_one_elec_energy(Density const &density__) const (defined in sirius::Potential) | sirius::Potential | inline |
| paw_potential_ | sirius::Potential | private |
| paw_ps_exc_ | sirius::Potential | private |
| PAW_total_energy(Density const &density__) const (defined in sirius::Potential) | sirius::Potential | inline |
| PAW_xc_total_energy(Density const &density__) const (defined in sirius::Potential) | sirius::Potential | inline |
| poisson(Periodic_function< double > const &rho) | sirius::Potential | |
| poisson_add_pseudo_pw(sddk::mdarray< std::complex< double >, 2 > &qmt__, sddk::mdarray< std::complex< double >, 2 > &qit__, std::complex< double > *rho_pw__) | sirius::Potential | private |
| poisson_vmt(Periodic_function< double > const &rho__) const | sirius::Potential | inlineprivate |
| poisson_vmt(Atom const &atom__, Spheric_function< function_domain_t::spectral, T > const &rho_mt__, Spheric_function< function_domain_t::spectral, T > &vha_mt__) const | sirius::Potential | inline |
| Potential(Simulation_context &ctx__) | sirius::Potential | |
| pseudo_density_order_ (defined in sirius::Potential) | sirius::Potential | private |
| pw_components() (defined in sirius::Field4D) | sirius::Field4D | inline |
| rm2_inv_pw(int ig__) const (defined in sirius::Potential) | sirius::Potential | inline |
| rm2_inv_pw_ | sirius::Potential | private |
| rm_inv_pw(int ig__) const (defined in sirius::Potential) | sirius::Potential | inline |
| rm_inv_pw_ | sirius::Potential | private |
| save(std::string name__) (defined in sirius::Potential) | sirius::Potential | |
| sbessel_mom_ | sirius::Potential | private |
| sbessel_mt_ (defined in sirius::Potential) | sirius::Potential | private |
| scalar() | sirius::Field4D | inline |
| scalar() const | sirius::Field4D | inline |
| set_rm2_inv_pw(std::complex< double > const *rm2_inv_pw__) (defined in sirius::Potential) | sirius::Potential | inline |
| set_rm_inv_pw(std::complex< double > const *rm_inv_pw__) (defined in sirius::Potential) | sirius::Potential | inline |
| set_veff_pw(std::complex< double > const *veff_pw__) (defined in sirius::Potential) | sirius::Potential | inline |
| sht_ (defined in sirius::Potential) | sirius::Potential | private |
| U() const (defined in sirius::Potential) | sirius::Potential | inline |
| U_ | sirius::Potential | private |
| unit_cell_ | sirius::Potential | private |
| update() | sirius::Potential | |
| update_atomic_potential() (defined in sirius::Potential) | sirius::Potential | |
| vector(int i) | sirius::Field4D | inline |
| vector(int i) const | sirius::Field4D | inline |
| veff_pw(int ig__) const (defined in sirius::Potential) | sirius::Potential | inline |
| veff_pw_ | sirius::Potential | private |
| vh_el(int ia) const (defined in sirius::Potential) | sirius::Potential | inline |
| vh_el_ | sirius::Potential | private |
| vsigma(int idx__) (defined in sirius::Potential) | sirius::Potential | inline |
| vsigma_ | sirius::Potential | private |
| xc(Density const &rho__) | sirius::Potential | |
| xc_energy_density() (defined in sirius::Potential) | sirius::Potential | inline |
| xc_energy_density() const (defined in sirius::Potential) | sirius::Potential | inline |
| xc_energy_density_ | sirius::Potential | private |
| xc_func_ (defined in sirius::Potential) | sirius::Potential | private |
| xc_mt(Density const &density__) | sirius::Potential | private |
| xc_potential() (defined in sirius::Potential) | sirius::Potential | inline |
| xc_potential() const (defined in sirius::Potential) | sirius::Potential | inline |
| xc_potential_ | sirius::Potential | private |
| xc_rg_magnetic(Density const &density__) | sirius::Potential | private |
| xc_rg_nonmagnetic(Density const &density__) | sirius::Potential | private |
| zero() (defined in sirius::Field4D) | sirius::Field4D | inline |
| zil_ (defined in sirius::Potential) | sirius::Potential | private |
| zilm_ (defined in sirius::Potential) | sirius::Potential | private |
1.9.3