pydft_qmmm.utils

A sub-package containing common classes, utilities, and constants.

Modules

constants	A module containing unit conversions, constants, and enumerations.
descriptor	Helpful descriptors for caching and plugin loading.
exceptions	A module containing PyDFT-QMMM exception classes.
lattice	Helper functions for operations involving periodic lattices.
logging	Utilities for logging energies and positions and related types.
misc	Helper functions accessed by multiple classes.