:py:mod:`aiida_vasp.parsers.neb`
================================

.. py:module:: aiida_vasp.parsers.neb

.. autodoc2-docstring:: aiida_vasp.parsers.neb
   :allowtitles:

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

Classes
~~~~~~~

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

   * - :py:obj:`NebParser <aiida_vasp.parsers.neb.NebParser>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser
          :summary:

Functions
~~~~~~~~~

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

   * - :py:obj:`gather_quantities_neb <aiida_vasp.parsers.neb.gather_quantities_neb>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.gather_quantities_neb
          :summary:

Data
~~~~

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

   * - :py:obj:`DEFAULT_EXCLUDED_QUANTITIES <aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_QUANTITIES>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_QUANTITIES
          :summary:
   * - :py:obj:`DEFAULT_EXCLUDED_NODE <aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_NODE>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_NODE
          :summary:
   * - :py:obj:`DEFAULT_REQUIRED_QUANTITIES <aiida_vasp.parsers.neb.DEFAULT_REQUIRED_QUANTITIES>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_REQUIRED_QUANTITIES
          :summary:
   * - :py:obj:`DEFAULT_FILE_MAPPING <aiida_vasp.parsers.neb.DEFAULT_FILE_MAPPING>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_FILE_MAPPING
          :summary:
   * - :py:obj:`MISC_QUANTITIES <aiida_vasp.parsers.neb.MISC_QUANTITIES>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.neb.MISC_QUANTITIES
          :summary:

API
~~~

.. py:data:: DEFAULT_EXCLUDED_QUANTITIES
   :canonical: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_QUANTITIES
   :value: ('energies', 'chgcar', 'wavecar', 'projectors', 'charge_density', 'magnetization_density', 'elastic_...

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_QUANTITIES

.. py:data:: DEFAULT_EXCLUDED_NODE
   :canonical: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_NODE
   :value: 'tuple(...)'

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_EXCLUDED_NODE

.. py:data:: DEFAULT_REQUIRED_QUANTITIES
   :canonical: aiida_vasp.parsers.neb.DEFAULT_REQUIRED_QUANTITIES
   :value: ('run_status', 'run_stats')

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_REQUIRED_QUANTITIES

.. py:data:: DEFAULT_FILE_MAPPING
   :canonical: aiida_vasp.parsers.neb.DEFAULT_FILE_MAPPING
   :value: None

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.DEFAULT_FILE_MAPPING

.. py:data:: MISC_QUANTITIES
   :canonical: aiida_vasp.parsers.neb.MISC_QUANTITIES
   :value: ('total_energies', 'notifications', 'run_status', 'run_stats', 'version', 'forces', 'stress', 'site_...

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.MISC_QUANTITIES

.. py:class:: NebParser(node: aiida.orm.CalcJobNode)
   :canonical: aiida_vasp.parsers.neb.NebParser

   Bases: :py:obj:`aiida_vasp.parsers.vasp.VaspParser`

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser.__init__

   .. py:method:: parse(**kwargs: typing.Any) -> aiida.engine.ExitCode | None
      :canonical: aiida_vasp.parsers.neb.NebParser.parse

   .. py:method:: get_num_images() -> int
      :canonical: aiida_vasp.parsers.neb.NebParser.get_num_images

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser.get_num_images

   .. py:method:: _create_outputs() -> aiida.engine.ExitCode | None
      :canonical: aiida_vasp.parsers.neb.NebParser._create_outputs

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser._create_outputs

   .. py:method:: _compose_structure(quantities_each: dict[str, typing.Any]) -> dict[str, aiida.orm.StructureData]
      :canonical: aiida_vasp.parsers.neb.NebParser._compose_structure

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser._compose_structure

   .. py:method:: _compose_trajectory(quantities_each: dict[str, typing.Any]) -> dict[str, aiida.orm.TrajectoryData] | None
      :canonical: aiida_vasp.parsers.neb.NebParser._compose_trajectory

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser._compose_trajectory

   .. py:method:: _compose_misc(quantities_each: dict[str, typing.Any]) -> aiida.orm.Dict
      :canonical: aiida_vasp.parsers.neb.NebParser._compose_misc

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser._compose_misc

   .. py:method:: _check_vasp_errors(parser_notifications: dict[str, typing.Any]) -> aiida.engine.ExitCode | None
      :canonical: aiida_vasp.parsers.neb.NebParser._check_vasp_errors

      .. autodoc2-docstring:: aiida_vasp.parsers.neb.NebParser._check_vasp_errors

.. py:function:: gather_quantities_neb(quantities_each: dict[str, typing.Any], namespace: str, dst: dict[str, typing.Any], fields: list[str]) -> None
   :canonical: aiida_vasp.parsers.neb.gather_quantities_neb

   .. autodoc2-docstring:: aiida_vasp.parsers.neb.gather_quantities_neb