surface.h File Reference

#include <Eigen/Geometry>
#include <array>
#include <occ/core/linear_algebra.h>
#include <occ/crystal/crystal.h>
#include <occ/crystal/hkl.h>
#include <occ/crystal/symmetryoperation.h>
#include <occ/crystal/unitcell.h>
#include <string>
#include <utility>
#include <vector>

Include dependency graph for surface.h:

Classes
struct	occ::crystal::SurfaceCutResult
	Results from analyzing a crystal surface cut. More...
class	occ::crystal::Surface
	Represents and analyzes a crystal surface defined by Miller indices. More...
struct	occ::crystal::CrystalSurfaceGenerationParameters
	Parameters for crystal surface generation. More...

Namespaces
namespace	occ
namespace	occ::crystal
	functionality related to periodic crystal structures, space groups, symmetry operations

Functions
std::vector< Surface >	occ::crystal::generate_surfaces (const Crystal &c, const CrystalSurfaceGenerationParameters &={})
bool	occ::crystal::friedel_mate_is_equivalent (const Crystal &c, const HKL &hkl)
	Whether the crystal's point group maps hkl onto -h-k-l, i.e.
std::vector< size_t >	occ::crystal::laue_orbit_partners (const Crystal &c, const std::vector< Surface > &surfaces, size_t i)
	Positions in surfaces that share a Laue-class orbit with surfaces[i], including i itself.
std::vector< std::pair< HKL, SymmetryOperation > >	occ::crystal::face_images (const Crystal &c, const HKL &hkl)
	The distinct faces equivalent to hkl under the crystal's point group, each with the first symmetry operation (R|t) that produces it: the image is R^-T hkl, and a cut at offset o on hkl maps to o + image.t on it.