crystal_morphology.h File Reference

#include <istream>
#include <nlohmann/json.hpp>
#include <occ/cg/morphology_types.h>
#include <occ/cg/result_types.h>
#include <occ/crystal/crystal.h>
#include <occ/crystal/hkl.h>
#include <occ/driver/crystal_surface_energy.h>
#include <string>
#include <utility>
#include <vector>

Include dependency graph for crystal_morphology.h:

Classes
struct	occ::driver::MorphologyOptions
	Options for the particle size/shape-dependent energy calculation. More...
struct	occ::driver::NamedShape
	One named shape from a multi-shape file. More...

Namespaces
namespace	occ
namespace	occ::cg
namespace	occ::driver

Functions
void	occ::cg::to_json (nlohmann::json &, const MorphologyResult &)
MorphologyResult	occ::driver::compute_crystal_morphology (const occ::crystal::Crystal &crystal, const occ::crystal::CrystalDimers &uc_dimers, const CrystalSurfaceEnergies &surface_energies, const occ::cg::CrystalGrowthResult &growth_result, const MorphologyOptions &options={})
	Compute the particle size/shape-dependent (surface + edge + corner) energy.
std::vector< std::pair< occ::crystal::HKL, double > >	occ::driver::read_morphology_shape (std::istream &input)
	Read a particle shape for MorphologyOptions::user_shifts: one face per line as h k l distance, one face per form (its symmetry-equivalent faces are added), distances in any one unit since only their ratios matter.
std::vector< NamedShape >	occ::driver::read_morphology_shapes (std::istream &input)
	Read one or more shapes.