#include <densities.hpp>

Public Member Functions
int	size () const

Public Attributes
std::vector< int >	angular_momentum
	l of that channel

std::vector< int >	lm_index
	flat (l,m) index

std::vector< int >	radial_channel
	index into partial_waves_*

Detailed Description

The dataset's projector channels expanded over magnetic quantum numbers.

A dataset states number_of_projectors radial channels, each carrying 2l+1 magnetic components; occupancies are indexed over that expanded set. The expansion follows the same convention the plane-wave projector mapping uses, so an occupancy matrix built by one is readable by the other.

Definition at line 59 of file densities.hpp.

Member Function Documentation

◆ size()

int q3::paw_one_center::ChannelExpansion::size ( ) const

inline

Definition at line 64 of file densities.hpp.

References radial_channel.

Referenced by q3::paw_one_center::build_one_center_densities(), q3::paw_one_center::compute_one_center_d_matrix(), and q3::paw_one_center::SpeciesOneCenterContext::number_of_channels().

Member Data Documentation

◆ angular_momentum

std::vector<int> q3::paw_one_center::ChannelExpansion::angular_momentum

l of that channel

Definition at line 61 of file densities.hpp.

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

◆ lm_index

std::vector<int> q3::paw_one_center::ChannelExpansion::lm_index

flat (l,m) index

Definition at line 62 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities(), q3::paw_one_center::compute_one_center_d_matrix(), and q3::paw_one_center::expand_channels().

◆ radial_channel

std::vector<int> q3::paw_one_center::ChannelExpansion::radial_channel

index into partial_waves_*

Definition at line 60 of file densities.hpp.

Referenced by q3::paw_one_center::build_one_center_densities(), q3::paw_one_center::compute_one_center_d_matrix(), q3::paw_one_center::expand_channels(), and size().

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

src/layer_4_computation/paw/one_center/densities.hpp

Public Member Functions