cell_symmetry.hpp File Reference

#include <array>
#include <cmath>
#include <cstdlib>
#include <stdexcept>
#include <string>
#include "layer_0_core/types/matrix_3x3.hpp"
#include "layer_0_core/types/type_aliases.hpp"

Go to the source code of this file.

Namespaces
namespace	q3
namespace	q3::berkeleygw_cell_symmetry_detail

Functions
int	q3::berkeleygw_cell_symmetry (int bravais_lattice_index, const Matrix3x3 &lattice_vectors)
bool	q3::berkeleygw_cell_symmetry_detail::close (Real first, Real second)
	Whether two dimensionless quantities – length ratios or cosines – agree to metric_tolerance.
Real	q3::berkeleygw_cell_symmetry_detail::dot (const Matrix3x3 &vectors, int first, int second)
	The dot product of rows first and second of vectors.
bool	q3::lattice_is_in_the_hexagonal_family (const Matrix3x3 &lattice_vectors)
	Whether the rows of lattice_vectors span a hexagonal or trigonal-R lattice.

Variables
constexpr Real	q3::berkeleygw_cell_symmetry_detail::metric_tolerance = 1e-5