occ
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surface.h File Reference
#include <string>
#include <Eigen/Geometry>
#include <array>
#include <occ/core/linear_algebra.h>
#include <occ/crystal/crystal.h>
#include <occ/crystal/hkl.h>
#include <occ/crystal/unitcell.h>
#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< Surfaceocc::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.