uf3.data.composition¶

This module provides the ChemicalSystem class for managing quantities related to elements, composition, and element-element interactions.

Functions

`get_electronegativity_sort`	Query electronegativities given element number(s).
`get_element_combinations`	Find chemical interactions from element list based on
`get_szudzik_hash`	Recursive application of pairing function for d columns.
`sort_interaction_map`	Apply sort_interaction_symbols() to each key in a dictionary.
`sort_interaction_symbols`	Sort interaction tuple by electronegativities.
`szudzik_pair`	Numpy implementation of a pairing function by Matthew Szudzik
`szudzik_unpair`	Numpy implementation of a pairing function by Matthew Szudzik
`unpack_szudzik_hash`	Recursive application of pairing function for d columns.

Classes

Handler class for managing quantities related to elements, composition, and element-element interactions.