crystal_surface_energy.h File Reference

#include <algorithm>
#include <ankerl/unordered_dense.h>
#include <cmath>
#include <nlohmann/json.hpp>
#include <occ/crystal/crystal.h>
#include <occ/crystal/hkl.h>
#include <string>

Include dependency graph for crystal_surface_energy.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::driver::FacetEnergies
struct	occ::driver::CrystalSurfaceEnergies

Namespaces
namespace	occ
namespace	occ::driver

Functions
bool	occ::driver::is_lower_cut (double energy, double offset, double best_energy, double best_offset)
	Whether a cut (energy, offset) should replace the best one so far.
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 &)