MADNESS  version 0.9
Public Attributes | List of all members
AtomicData Struct Reference

#include <atomutil.h>

Public Attributes

const char *const symbol
 
const char *const symbol_lowercase
 
const unsigned int atomic_number
 
const int isotope_number
 
const double nuclear_radius
 Radius of the nucleus for the finite nucleus models (in atomic units). More...
 
const double nuclear_half_charge_radius
 Half charge radius in the Fermi Model (in atomic units). More...
 
const double nuclear_gaussian_exponent
 Exponential parameter in the Gaussian Model (in atomic units). More...
 
const double covalent_radius
 Covalent radii stolen without shame from NWChem. More...
 

Member Data Documentation

const unsigned int AtomicData::atomic_number
const double AtomicData::covalent_radius

Covalent radii stolen without shame from NWChem.

const int AtomicData::isotope_number
const double AtomicData::nuclear_gaussian_exponent

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

const double AtomicData::nuclear_half_charge_radius

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

const double AtomicData::nuclear_radius

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

const char *const AtomicData::symbol
const char *const AtomicData::symbol_lowercase

Referenced by symbol_to_atomic_number().


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