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q3::PlanewaveBasis Member List

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

charge_density_energy_cutoff() constq3::PlanewaveBasisinline
compute_gk(const Vector3D &k_coordinates, const Crystal &crystal_structure, std::vector< int > &g_vector_indices, std::vector< Real > &kinetic_energy_squared, int band_size=1) constq3::PlanewaveBasisinline
fft_pair() constq3::PlanewaveBasisinline
fft_rho()q3::PlanewaveBasisinline
fft_rho() constq3::PlanewaveBasisinline
fft_wave()q3::PlanewaveBasisinline
fft_wave() constq3::PlanewaveBasisinline
fft_wave_serial() constq3::PlanewaveBasisinline
first_nonzero_g_index() constq3::PlanewaveBasisinline
g_to_r(const std::vector< Complex > &coefficients_g_space, const std::vector< int > &g_vector_indices, int number_of_plane_waves, std::vector< Complex > &coefficients_real_space) constq3::PlanewaveBasisinline
g_vector_indices_by_kpoint_index(int kpoint_index) constq3::PlanewaveBasisinline
g_vector_magnitudes() constq3::PlanewaveBasisinline
g_vectors() constq3::PlanewaveBasisinline
g_vectors_grid() constq3::PlanewaveBasisinline
gamma_origin_is_local() constq3::PlanewaveBasisinline
generate(const FFTGridFactory &fft_grid_factory, const Crystal &crystal_structure, Real wavefunction_energy_cutoff, Real charge_density_energy_cutoff, bool is_gamma_only=false, bool use_measured_fft_planning=true, bool use_exact_wavefunction_grid=false)q3::PlanewaveBasisinline
initialize_kpoint_data(const Crystal &crystal_structure, const KPointsGrid &kpoint_grid, int band_size=1)q3::PlanewaveBasisinline
is_gamma_only() constq3::PlanewaveBasisinline
kinetic_energy_squared_by_kpoint_index(int kpoint_index) constq3::PlanewaveBasisinline
kpoint_g_vector_indices() constq3::PlanewaveBasisinline
kpoint_kinetic_energy_squared() constq3::PlanewaveBasisinline
kpoint_number_of_plane_waves() constq3::PlanewaveBasisinline
maximum_plane_waves_per_kpoint() constq3::PlanewaveBasisinline
number_of_g_vectors() constq3::PlanewaveBasisinline
number_of_plane_waves_by_kpoint_index(int kpoint_index) constq3::PlanewaveBasisinline
plane_wave_table() constq3::PlanewaveBasisinline
PlanewaveBasis()=defaultq3::PlanewaveBasis
PlanewaveBasis(PlanewaveBasisConfig config)q3::PlanewaveBasisinlineexplicit
r_to_g(const std::vector< Complex > &coefficients_real_space, const std::vector< int > &g_vector_indices, int number_of_plane_waves, std::vector< Complex > &coefficients_g_space) constq3::PlanewaveBasisinline
rho_g_to_r(const std::vector< Complex > &charge_density_g_space, std::vector< Real > &charge_density_real_space) constq3::PlanewaveBasisinline
rho_r_to_g(const std::vector< Real > &charge_density_real_space, std::vector< Complex > &charge_density_g_space) constq3::PlanewaveBasisinline
stick_weights_for_grid(const FFTGrid &grid, Predicate accept) constq3::PlanewaveBasisinline
wavefunction_energy_cutoff() constq3::PlanewaveBasisinline