#include <hubbard.hpp>

Public Attributes
int	eigenvalue_index
	0-based position in the ascending eigenvalue list.

std::string	species_symbol

int	spin_index
	0-based spin channel.

Real	target_occupation
	[0, 1] in the per-spin convention.

Detailed Description

One seeding directive. Species is matched by ATOMIC_SPECIES symbol (the same per-sublattice granularity the Hubbard specification itself uses, so an antiferromagnet's Fe1/Fe2 can be seeded independently). Indices are 0-based here; the input parsers convert from the 1-based drop-in and YAML forms and bounds-check what they can before the manifold sizes are known.

Definition at line 48 of file hubbard.hpp.

Member Data Documentation

◆ eigenvalue_index

int q3::HubbardStartingEigenvalue::eigenvalue_index

0-based position in the ascending eigenvalue list.

Definition at line 50 of file hubbard.hpp.

◆ species_symbol

std::string q3::HubbardStartingEigenvalue::species_symbol

Definition at line 49 of file hubbard.hpp.

◆ spin_index

int q3::HubbardStartingEigenvalue::spin_index

0-based spin channel.

Definition at line 51 of file hubbard.hpp.

◆ target_occupation

Real q3::HubbardStartingEigenvalue::target_occupation

[0, 1] in the per-spin convention.

Definition at line 52 of file hubbard.hpp.

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