kkcalc2.stoich#

Module to define classes and properties relating to the chemical composition of materials.

Includes

Module Attributes

has_periodictable

Flag to indicate if the periodictable module is available.

ELEMENTS

A list of tuples containing the atomic symbol, atomic number and atomic mass of each element.

atomic_nums

Atomic Numbers

atomic_syms

Atomic Symbols

atomic_masses

Atomic Masses

Functions

relativistic_correction_eq(composition)

Calculate a relativistic correction to the Kramers-Kronig transform owing to the elemental composition.

Classes

stoichiometry(composition)

Defines the stoichiometry of a chemical compound.