:py:mod:`aiida_lammps.calculations.raw`
=======================================

.. py:module:: aiida_lammps.calculations.raw

.. autodoc2-docstring:: aiida_lammps.calculations.raw
   :allowtitles:

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

Classes
~~~~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`LammpsRawCalculation <aiida_lammps.calculations.raw.LammpsRawCalculation>`
     - .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation
          :summary:

API
~~~

.. py:class:: LammpsRawCalculation(*args, **kwargs)
   :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation

   Bases: :py:obj:`aiida.engine.CalcJob`

   .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation.__init__

   .. py:attribute:: FILENAME_INPUT
      :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation.FILENAME_INPUT
      :value: 'input.in'

      .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation.FILENAME_INPUT

   .. py:attribute:: FILENAME_OUTPUT
      :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation.FILENAME_OUTPUT
      :value: 'lammps.out'

      .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation.FILENAME_OUTPUT

   .. py:method:: define(spec)
      :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation.define
      :classmethod:

   .. py:method:: validate_inputs(value, ctx)
      :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation.validate_inputs
      :classmethod:

      .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation.validate_inputs

   .. py:method:: prepare_for_submission(folder: aiida.common.folders.Folder) -> aiida.common.datastructures.CalcInfo
      :canonical: aiida_lammps.calculations.raw.LammpsRawCalculation.prepare_for_submission

      .. autodoc2-docstring:: aiida_lammps.calculations.raw.LammpsRawCalculation.prepare_for_submission