aiida_pythonjob_ins.data.force_constants
========================================

.. py:module:: aiida_pythonjob_ins.data.force_constants

.. autoapi-nested-parse::

   AiiDA Data node wrapping a Euphonic ``ForceConstants`` object.

   ``ForceConstants`` is the primary *input* object for lattice-dynamics workflows:
   it holds the interatomic force constants (plus crystal + optional dipole data)
   from which phonons at arbitrary q-points are interpolated.
   https://euphonic.readthedocs.io/en/stable/force-constants.html



Classes
-------

.. autoapisummary::

   aiida_pythonjob_ins.data.force_constants.ForceConstantsData


Module Contents
---------------

.. py:class:: ForceConstantsData(euphonic_object: Any | None = None, **kwargs)

   Bases: :py:obj:`aiida_pythonjob_ins.data.mixins.CrystalStructureMixin`, :py:obj:`aiida_pythonjob_ins.data.base.EuphonicJSONData`


   Store a Euphonic ``ForceConstants`` object as an AiiDA node.


   .. py:method:: get_force_constants() -> euphonic.ForceConstants

      Return the wrapped :class:`euphonic.ForceConstants`.



   .. py:method:: from_castep(filepath: str | pathlib.Path) -> Self
      :classmethod:


      Build a node by reading a CASTEP ``.castep_bin``/``.check`` file.

      Uses the public reader ``ForceConstants.from_castep``.



   .. py:method:: from_phonopy(**kwargs) -> Self
      :classmethod:


      Build a node from Phonopy output via ``ForceConstants.from_phonopy``.

      Requires the optional ``phonopy`` extra. Keyword arguments are forwarded
      (e.g. ``path``, ``summary_name``, ``fc_name``).