species_data.h File Reference

Classes
struct	occ::opt::SpeciesData

Namespaces
namespace	occ
namespace	occ::opt

Functions
float	occ::opt::get_covalent_radius (int atomic_number)
float	occ::opt::get_vdw_radius (int atomic_number)

Variables
constexpr size_t	occ::opt::SPECIES_COUNT = sizeof(SPECIES_DATA) / sizeof(SpeciesData)