doped module (__init__.py)
doped is a python package for managing solid-state defect calculations,
with functionality to generate defect structures and relevant competing phases
(for chemical potentials), interface with ShakeNBreak
(https://shakenbreak.readthedocs.io) for defect structure-searching (see
https://www.nature.com/articles/s41524-023-00973-1), write VASP input files for
defect supercell calculations, and automatically parse and analyse the results.