symmetry.hpp File Reference

#include <cmath>
#include <spglib.h>
#include <stdexcept>
#include <string>
#include <vector>
#include "layer_0_core/logging/init.hpp"
#include "layer_0_core/math/tolerances.hpp"
#include "layer_0_core/types/init.hpp"
#include "layer_1_structure/crystal/crystal.hpp"
#include "layer_1_structure/reciprocal_space/kpoints_grid.hpp"
#include "layer_1_structure/symmetry/operation.hpp"

Go to the source code of this file.

Classes
class	q3::SymmetryAnalyzer
	Symmetry analysis and IBZ k-point reduction using spglib. More...

Namespaces
namespace	q3
namespace	q3::detail

Functions
void	q3::detail::crystal_to_spglib (const Crystal &crystal, double lattice[3][3], std::vector< double > &positions, std::vector< int > &types)