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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: