pyscal Reference ================ pyscal.core module ------------------ Main module of pyscal. This module contains definitions of the two major classes in pyscal - the :class:`~pyscal.core.System` and :class:`~pyscal.catom.Atom`. Atom is a pure pybind11 class whereas System is a hybrid class with additional python definitions. For the ease of use, Atom class should be imported from the :mod:`~pyscal.core` module. The original pybind11 definitions of Atom and System can be found in :mod:`~pyscal.catom` and :mod:`~pyscal.csystem` respectively. .. automodule:: pyscal.core :members: :undoc-members: :show-inheritance: .. automodule:: pyscal.catom :members: :undoc-members: :show-inheritance: pyscal.crystal\_structures module --------------------------------- .. automodule:: pyscal.crystal_structures :members: :undoc-members: :show-inheritance: pyscal.trajectory module -------------------- .. automodule:: pyscal.trajectory :members: :undoc-members: :show-inheritance: pyscal.traj\_process module --------------------------- .. automodule:: pyscal.traj_process :members: :undoc-members: :show-inheritance: pyscal.misc module -------------------- .. automodule:: pyscal.misc :members: :undoc-members: :show-inheritance: