#include <nlohmann/json.hpp>
#include <occ/crystal/crystal.h>
#include <occ/crystal/hkl.h>
#include <string>

Include dependency graph for crystal_surface_energy.h:

Classes
struct	occ::main::FacetEnergies

struct	occ::main::CrystalSurfaceEnergies

Namespaces
namespace	occ

namespace	occ::main
	main module for functionaliity related to single point energies etc.

Functions
CrystalSurfaceEnergies	occ::main::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)

void	occ::main::to_json (nlohmann::json &j, const FacetEnergies &)

void	occ::main::to_json (nlohmann::json &j, const CrystalSurfaceEnergies &)

Classes

Namespaces