:py:mod:`aiida_vasp.parsers.content_parsers.outcar`
===================================================

.. py:module:: aiida_vasp.parsers.content_parsers.outcar

.. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar
   :allowtitles:

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

Classes
~~~~~~~

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

   * - :py:obj:`OutcarParser <aiida_vasp.parsers.content_parsers.outcar.OutcarParser>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser
          :summary:
   * - :py:obj:`VtstNebOutcarParser <aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser
          :summary:

Functions
~~~~~~~~~

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

   * - :py:obj:`_parse_force_block <aiida_vasp.parsers.content_parsers.outcar._parse_force_block>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar._parse_force_block
          :summary:
   * - :py:obj:`_parse_neb_outputs <aiida_vasp.parsers.content_parsers.outcar._parse_neb_outputs>`
     - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar._parse_neb_outputs
          :summary:

API
~~~

.. py:class:: OutcarParser(*, handler: typing.TextIO | typing.BinaryIO | None = None, data: aiida.orm.Data | None = None, settings: dict[str, typing.Any] | None = None, options: dict[str, typing.Any] | None = None, raise_errors: bool = False)
   :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser

   Bases: :py:obj:`aiida_vasp.parsers.content_parsers.base.BaseFileParser`

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.__init__

   .. py:attribute:: DEFAULT_SETTINGS
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.DEFAULT_SETTINGS
      :value: None

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.DEFAULT_SETTINGS

   .. py:attribute:: PARSABLE_QUANTITIES
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.PARSABLE_QUANTITIES
      :value: None

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.PARSABLE_QUANTITIES

   .. py:method:: _init_from_handler(handler: typing.Any) -> None
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser._init_from_handler

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser._init_from_handler

   .. py:property:: run_status
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.run_status

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.run_status

   .. py:property:: run_stats
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.run_stats

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.run_stats

   .. py:property:: symmetries
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.symmetries

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.symmetries

   .. py:property:: elastic_moduli
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.elastic_moduli

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.elastic_moduli

   .. py:property:: site_magnetization
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.site_magnetization

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.site_magnetization

   .. py:property:: magnetization
      :canonical: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.magnetization

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.OutcarParser.magnetization

.. py:class:: VtstNebOutcarParser(*args, **kwargs)
   :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser

   Bases: :py:obj:`aiida_vasp.parsers.content_parsers.outcar.OutcarParser`

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.__init__

   .. py:attribute:: DEFAULT_SETTINGS
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.DEFAULT_SETTINGS
      :value: None

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.DEFAULT_SETTINGS

   .. py:attribute:: PARSABLE_QUANTITIES
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.PARSABLE_QUANTITIES
      :value: None

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.PARSABLE_QUANTITIES

   .. py:method:: _init_from_handler(handler: typing.Any) -> None
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser._init_from_handler

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser._init_from_handler

   .. py:property:: neb_data
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.neb_data

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.neb_data

   .. py:property:: forces
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.forces

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.forces

   .. py:property:: outcar_positions
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.outcar_positions

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.outcar_positions

   .. py:property:: outcar_cell
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.outcar_cell

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.outcar_cell

   .. py:property:: total_energies
      :canonical: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.total_energies

      .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar.VtstNebOutcarParser.total_energies

.. py:function:: _parse_force_block(lines: typing.List[str]) -> typing.Tuple[typing.List[typing.List[float]], typing.List[typing.List[float]]]
   :canonical: aiida_vasp.parsers.content_parsers.outcar._parse_force_block

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar._parse_force_block

.. py:function:: _parse_neb_outputs(path: typing.Union[str, pathlib.Path, typing.Any], inputs: typing.Optional[typing.Dict[str, typing.Any]] = None) -> typing.Dict[str, typing.Any]
   :canonical: aiida_vasp.parsers.content_parsers.outcar._parse_neb_outputs

   .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.outcar._parse_neb_outputs