q3::paw_one_center::OneCenterDensities Struct Reference

lm-decomposed one-center densities, r-weighted, for one spin channel. More...

#include <densities.hpp>

Public Attributes
std::vector< std::vector< Real > >	all_electron
	[lm][radial point]
int	mesh_size {}
int	number_of_lm {}
std::vector< std::vector< Real > >	pseudo
	[lm][radial point], compensated

Detailed Description

lm-decomposed one-center densities, r-weighted, for one spin channel.

Definition at line 116 of file densities.hpp.

Member Data Documentation

all_electron

std::vector<std::vector<Real> > q3::paw_one_center::OneCenterDensities::all_electron

[lm][radial point]

Definition at line 117 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities().

mesh_size

int q3::paw_one_center::OneCenterDensities::mesh_size {}

Definition at line 120 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities().

number_of_lm

int q3::paw_one_center::OneCenterDensities::number_of_lm {}

Definition at line 119 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities().

pseudo

std::vector<std::vector<Real> > q3::paw_one_center::OneCenterDensities::pseudo

[lm][radial point], compensated

Definition at line 118 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities().

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

• src/layer_4_computation/paw/one_center/densities.hpp