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q3::UltrasoftPlanewaveBasis Member List

This is the complete list of members for q3::UltrasoftPlanewaveBasis, including all inherited members.

add_augmentation_charges(const Crystal &crystal_structure, const Matrix< Real > &projector_overlap_coefficients, std::vector< Complex > &charge_density_g, const std::vector< std::vector< Complex > > *cached_structure_factors=nullptr) constq3::UltrasoftPlanewaveBasisinline
atomic_charge_density_g(int species_type) constq3::NormConservingPlanewaveBasisinline
atomic_charge_density_g_q3::NormConservingPlanewaveBasisprotected
augmentation_overlap_integral(int species_type, int projector_a, int projector_b) constq3::UltrasoftPlanewaveBasisinline
augmentation_q_table() constq3::UltrasoftPlanewaveBasisinline
bare_d_matrix_element(int species_type, int projector_a, int projector_b) constq3::NormConservingPlanewaveBasisinline
beta_angular_momentum(int species_type, int projector_index) constq3::NormConservingPlanewaveBasisinline
beta_function_table() constq3::NormConservingPlanewaveBasisinline
beta_function_table_q3::NormConservingPlanewaveBasisprotected
cell_volume_q3::NormConservingPlanewaveBasisprotected
compute_mesh_truncation_sizes(int number_of_species_types)q3::NormConservingPlanewaveBasisinlineprotected
compute_q_g_single(int species_type_index, int projector_index_i, int projector_index_j, const Vector3D &g_cartesian, Real two_pi_over_lattice_parameter) constq3::UltrasoftPlanewaveBasisinline
core_charge_data_q3::NormConservingPlanewaveBasisprotected
core_charge_density_reciprocal() constq3::NormConservingPlanewaveBasisinline
core_charge_density_table() constq3::NormConservingPlanewaveBasisinline
core_charge_density_table_q3::NormConservingPlanewaveBasisprotected
gaunt_table() constq3::UltrasoftPlanewaveBasisinline
has_nonlinear_core_correction() constq3::NormConservingPlanewaveBasisinline
has_q_functions_g(int species_type_index) constq3::UltrasoftPlanewaveBasisinline
init(const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis, const PseudopotentialSet &pseudopotential_set) overrideq3::UltrasoftPlanewaveBasisinlinevirtual
init_ultrasoft(const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis)q3::UltrasoftPlanewaveBasisinlineprotected
interpolate_beta(int species_type_index, int beta_index, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_core_charge_density(int element_type, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_core_charge_density_derivative(int element_type, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_dbeta(int species_type_index, int beta_index, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_local_potential(int element_type, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_local_potential_derivative(int element_type, Real q_value) constq3::NormConservingPlanewaveBasisinline
interpolate_qfunc(int species_type_index, int projector_pair_index, Real q_value) constq3::UltrasoftPlanewaveBasisinline
interpolate_rho_core(int element_type, Real q_value) constq3::NormConservingPlanewaveBasisinline
is_ultrasoft() const overrideq3::UltrasoftPlanewaveBasisinlinevirtual
local_potential_g(int species_type_index) constq3::NormConservingPlanewaveBasisinline
local_potential_g_per_species_q3::NormConservingPlanewaveBasisprotected
local_potential_table() constq3::NormConservingPlanewaveBasisinline
local_potential_table_q3::NormConservingPlanewaveBasisprotected
mesh_sizes_q3::NormConservingPlanewaveBasisprotected
NormConservingPlanewaveBasis()=defaultq3::NormConservingPlanewaveBasis
number_of_projector_channels(int species_type) constq3::NormConservingPlanewaveBasisinline
number_of_projectors(int species_type) constq3::NormConservingPlanewaveBasisinline
planewave_basis() constq3::NormConservingPlanewaveBasisinline
planewave_basis_ptr_q3::NormConservingPlanewaveBasisprotected
precompute_q_functions_g(const PlanewaveBasis &planewave_basis)q3::UltrasoftPlanewaveBasisinlineprotected
projector_angular_momentum(int species_type, int projector_index) constq3::NormConservingPlanewaveBasisinline
projector_combined_lm_index(int species_type, int projector_index) constq3::NormConservingPlanewaveBasisinline
projector_degree_for_gaunt_table(const PseudopotentialSet &pseudopotential_set, int maximum_angular_momentum_q)q3::UltrasoftPlanewaveBasisinlineprotectedstatic
projector_magnetic_quantum_number(int species_type, int projector_index) constq3::NormConservingPlanewaveBasisinline
projector_mapping_table() constq3::NormConservingPlanewaveBasisinline
projector_mapping_table_q3::NormConservingPlanewaveBasisprotected
projector_to_beta_index(int species_type, int projector_index) constq3::NormConservingPlanewaveBasisinline
pseudopotential_set() constq3::NormConservingPlanewaveBasisinline
pseudopotential_set_q3::NormConservingPlanewaveBasisprotected
q_function_g_data(int species_type_index, int channel_pair_index, int number_of_g_vectors) constq3::UltrasoftPlanewaveBasisinline
q_function_g_value(int species_type_index, int channel_pair_index, int g_index, int number_of_g_vectors) constq3::UltrasoftPlanewaveBasisinline
spherical_harmonics_table() constq3::UltrasoftPlanewaveBasisinline
total_local_potential_g() constq3::NormConservingPlanewaveBasisinline
total_local_potential_g_q3::NormConservingPlanewaveBasisprotected
total_number_of_projectors() constq3::NormConservingPlanewaveBasisinline
UltrasoftPlanewaveBasis()=defaultq3::UltrasoftPlanewaveBasis
~NormConservingPlanewaveBasis()=defaultq3::NormConservingPlanewaveBasisvirtual
~UltrasoftPlanewaveBasis() override=defaultq3::UltrasoftPlanewaveBasis