Overview of the API.

Overview of the API.#

Module for defect analysis.

core

Classes representing defects.

generators

Defect generators.

thermo

Classes and methods related to thermodynamics and energy.

ccd

Configuration-coordinate diagram analysis.

finder

Defect position identification without prior knowledge.

recombination

Recombination algorithms pure function implementations.

supercells

Functions for creating supercells for defect calculations.

utils

Utilities for defects module.