#include <hubbard.hpp>

Public Attributes
int	angular_momentum

int	atom_index

std::vector< int >	orbital_indices

Real	u_rydberg

Detailed Description

One resolved Hubbard-active manifold: a specific atom's specific shell, with the indices of its 2l+1 orbitals into the full enumerate_atomic_orbitals() list.

Definition at line 90 of file hubbard.hpp.

Member Data Documentation

◆ angular_momentum

int q3::HubbardManifold::angular_momentum

Definition at line 93 of file hubbard.hpp.

◆ atom_index

int q3::HubbardManifold::atom_index

Definition at line 91 of file hubbard.hpp.

◆ orbital_indices

std::vector<int> q3::HubbardManifold::orbital_indices

Definition at line 94 of file hubbard.hpp.

◆ u_rydberg

Real q3::HubbardManifold::u_rydberg

Definition at line 92 of file hubbard.hpp.

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