symmetrization.hpp File Reference

#include <array>
#include <cmath>
#include <vector>
#include "layer_0_core/types/init.hpp"
#include "layer_1_structure/crystal/crystal.hpp"
#include "layer_1_structure/symmetry/operation.hpp"
#include "layer_4_computation/paw/one_center/harmonic_rotation.hpp"

Go to the source code of this file.

Classes
struct	q3::HubbardManifoldLayout
	One manifold's identity: which atom, which l, and where its rows live. More...

Namespaces
namespace	q3

Functions
void	q3::symmetrize_hubbard_occupation_matrices (const Crystal &crystal_structure, const std::vector< SymmetryOperation > &symmetry_operations, const std::vector< HubbardManifoldLayout > &layouts, std::vector< std::vector< std::vector< Complex > > > &occupation_matrices)
void	q3::symmetrize_hubbard_occupation_matrices_under_time_reversal (std::vector< std::vector< std::vector< Complex > > > &occupation_matrices)