#include <atomutil.h>

Public Attributes
const unsigned int	atomic_number

const double	covalent_radius
	Covalent radii stolen without shame from NWChem.

const int	isotope_number

const double	mass
	the atomic mass

const double	nuclear_gaussian_exponent
	Exponential parameter in the Gaussian Model (in atomic units).

const double	nuclear_half_charge_radius
	Half charge radius in the Fermi Model (in atomic units).

const double	nuclear_radius
	Radius of the nucleus for the finite nucleus models (in atomic units).

const char *const	symbol

const char *const	symbol_lowercase

Member Data Documentation

◆ atomic_number

const unsigned int madness::AtomicData::atomic_number

const double madness::AtomicData::covalent_radius

Covalent radii stolen without shame from NWChem.

const int madness::AtomicData::isotope_number

const double madness::AtomicData::mass

the atomic mass

const double madness::AtomicData::nuclear_gaussian_exponent

Exponential parameter in the Gaussian Model (in atomic units).

const double madness::AtomicData::nuclear_half_charge_radius

Half charge radius in the Fermi Model (in atomic units).

const double madness::AtomicData::nuclear_radius

Radius of the nucleus for the finite nucleus models (in atomic units).

const char* const madness::AtomicData::symbol

const char* const madness::AtomicData::symbol_lowercase

The documentation for this struct was generated from the following file: