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Public Member Functions | List of all members
q3::PlaneWaveTable Class Reference

#include <plane_wave_table.hpp>

Public Member Functions

const std::vector< int > & g_vector_indices_by_kpoint_index (int kpoint_index) const
 
void initialize (const GVectorsGrid &g_vectors_grid, const Crystal &crystal_structure, const KPointsGrid &kpoint_grid, Real energy_cutoff_wavefunction, const FFTGrid *fft_wave=nullptr, int band_size=1)
 
const std::vector< Real > & kinetic_energy_squared_by_kpoint_index (int kpoint_index) const
 
const std::vector< std::vector< int > > & kpoint_g_vector_indices () const
 
const std::vector< std::vector< Real > > & kpoint_kinetic_energy_squared () const
 
const std::vector< int > & kpoint_number_of_plane_waves () const
 
int number_of_plane_waves_by_kpoint_index (int kpoint_index) const
 

Detailed Description

Definition at line 17 of file plane_wave_table.hpp.

Member Function Documentation

◆ g_vector_indices_by_kpoint_index()

const std::vector< int > & q3::PlaneWaveTable::g_vector_indices_by_kpoint_index ( int  kpoint_index) const
inline

Definition at line 44 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::g_vector_indices_by_kpoint_index(), and q3::PlanewaveBasis::initialize_kpoint_data().

◆ initialize()

void q3::PlaneWaveTable::initialize ( const GVectorsGrid &  g_vectors_grid,
const Crystal &  crystal_structure,
const KPointsGrid &  kpoint_grid,
Real  energy_cutoff_wavefunction,
const FFTGrid *  fft_wave = nullptr,
int  band_size = 1 
)
inline

Definition at line 19 of file plane_wave_table.hpp.

References q3::KPointsGrid::number_of_kpoints(), and q3::PlaneWaveSelector::select().

Referenced by q3::PlanewaveBasis::initialize_kpoint_data().

◆ kinetic_energy_squared_by_kpoint_index()

const std::vector< Real > & q3::PlaneWaveTable::kinetic_energy_squared_by_kpoint_index ( int  kpoint_index) const
inline

Definition at line 53 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::kinetic_energy_squared_by_kpoint_index().

◆ kpoint_g_vector_indices()

const std::vector< std::vector< int > > & q3::PlaneWaveTable::kpoint_g_vector_indices ( ) const
inline

Definition at line 57 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::kpoint_g_vector_indices().

◆ kpoint_kinetic_energy_squared()

const std::vector< std::vector< Real > > & q3::PlaneWaveTable::kpoint_kinetic_energy_squared ( ) const
inline

Definition at line 65 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::kpoint_kinetic_energy_squared().

◆ kpoint_number_of_plane_waves()

const std::vector< int > & q3::PlaneWaveTable::kpoint_number_of_plane_waves ( ) const
inline

Definition at line 61 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::kpoint_number_of_plane_waves().

◆ number_of_plane_waves_by_kpoint_index()

int q3::PlaneWaveTable::number_of_plane_waves_by_kpoint_index ( int  kpoint_index) const
inline

Definition at line 48 of file plane_wave_table.hpp.

Referenced by q3::PlanewaveBasis::number_of_plane_waves_by_kpoint_index().

The documentation for this class was generated from the following file: