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occ
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#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>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. | |