Usage ===== The everyday entry point is the :doc:`command-line interface ` — ``kapaow optimize rc`` for the bisection rc search, ``kapaow optimize spread`` for the pareto front, ``kapaow plot periodic-table`` for the sweep plots, and ``kapaow convert`` / ``kapaow confine`` for one-off file manipulations. The same building blocks are also available as a Python API. Basis manipulation ------------------ .. automodule:: kapaow.basis :members: .. automodule:: kapaow.extend :members: Pseudoatomic solver ------------------- .. automodule:: kapaow.solve :members: Radius search and pareto front ------------------------------ .. automodule:: kapaow.rc_search :members: .. automodule:: kapaow.pareto :members: