lobsterpy.featurize.utils

This package provides the modules for featurzing Lobster data ready for ML studies.

Functions

get_electronegativities	Get Allen electronegativities for a pair of atoms.
get_reduced_mass	Compute reduced mass between a pair of atoms.
sort_dict_by_value	Sort dictionary by values.

Classes

CoxxFingerprint

Represents a Coxx fingerprint.