:py:mod:`aiida_vasp.workchains.v2.inputset.vaspsets`
====================================================

.. py:module:: aiida_vasp.workchains.v2.inputset.vaspsets

.. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets
   :allowtitles:

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

Classes
~~~~~~~

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

   * - :py:obj:`VASPInputSet <aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet
          :summary:

Functions
~~~~~~~~~

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

   * - :py:obj:`get_ldau_keys <aiida_vasp.workchains.v2.inputset.vaspsets.get_ldau_keys>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.get_ldau_keys
          :summary:

API
~~~

.. py:class:: VASPInputSet(set_name, overrides=None, verbose=False)
   :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet

   Bases: :py:obj:`aiida_vasp.workchains.v2.inputset.base.InputSet`

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.__init__

   .. py:method:: get_input_dict(structure, raw_python=True) -> typing.Union[dict, aiida.orm.Dict]
      :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_input_dict

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_input_dict

   .. py:method:: get_pp_mapping(structure: aiida.orm.StructureData) -> dict
      :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_pp_mapping

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_pp_mapping

   .. py:method:: get_potcar_family() -> str
      :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_potcar_family

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_potcar_family

   .. py:method:: get_kpoints_spacing()
      :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_kpoints_spacing

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.VASPInputSet.get_kpoints_spacing

.. py:function:: get_ldau_keys(structure, mapping, utype=2, jmapping=None, felec=False)
   :canonical: aiida_vasp.workchains.v2.inputset.vaspsets.get_ldau_keys

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.inputset.vaspsets.get_ldau_keys