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occ
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#include <ankerl/unordered_dense.h>#include <nlohmann/json.hpp>#include <occ/crystal/crystal.h>#include <occ/crystal/hkl.h>#include <string>Classes | |
| struct | occ::driver::FacetEnergies |
| struct | occ::driver::CrystalSurfaceEnergies |
Namespaces | |
| namespace | occ |
| namespace | occ::driver |
Functions | |
| CrystalSurfaceEnergies | occ::driver::calculate_crystal_surface_energies (const std::string &filename, const occ::crystal::Crystal &crystal, const occ::crystal::CrystalDimers &uc_dimers, int max_number_of_surfaces, int sign=-1, double min_interplanar_spacing=0.0) |
| Surface energies for the morphologically important faces. | |
| void | occ::driver::to_json (nlohmann::json &j, const FacetEnergies &) |
| void | occ::driver::to_json (nlohmann::json &j, const CrystalSurfaceEnergies &) |