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Public Attributes | List of all members
q3::CoreChargeTabulationResult Struct Reference

Result of core charge density tabulation. More...

#include <charge_core.hpp>

Public Attributes

std::vector< Complex > core_charge_density_reciprocal
 ρ_core(G) with structure factors
 
bool has_nonlinear_core_correction = false
 
std::vector< std::vector< Real > > interpolation_table
 [species_type][q_index]
 

Detailed Description

Result of core charge density tabulation.

Definition at line 85 of file charge_core.hpp.

Member Data Documentation

◆ core_charge_density_reciprocal

std::vector<Complex> q3::CoreChargeTabulationResult::core_charge_density_reciprocal

ρ_core(G) with structure factors

Definition at line 88 of file charge_core.hpp.

Referenced by q3::tabulate_core_charge_density_in_g_space().

◆ has_nonlinear_core_correction

bool q3::CoreChargeTabulationResult::has_nonlinear_core_correction = false

Definition at line 86 of file charge_core.hpp.

Referenced by q3::tabulate_core_charge_density_in_g_space().

◆ interpolation_table

std::vector<std::vector<Real> > q3::CoreChargeTabulationResult::interpolation_table

[species_type][q_index]

Definition at line 87 of file charge_core.hpp.

Referenced by q3::tabulate_core_charge_density_in_g_space().

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