:py:mod:`aiida_vasp.workchains.v2.converge`
===========================================

.. py:module:: aiida_vasp.workchains.v2.converge

.. autodoc2-docstring:: aiida_vasp.workchains.v2.converge
   :allowtitles:

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

Classes
~~~~~~~

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

   * - :py:obj:`VaspConvergenceWorkChain <aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain
          :summary:

Functions
~~~~~~~~~

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

   * - :py:obj:`get_conv_data <aiida_vasp.workchains.v2.converge.get_conv_data>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.get_conv_data
          :summary:
   * - :py:obj:`plot_conv_data <aiida_vasp.workchains.v2.converge.plot_conv_data>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.plot_conv_data
          :summary:
   * - :py:obj:`get_convergence_builder <aiida_vasp.workchains.v2.converge.get_convergence_builder>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.get_convergence_builder
          :summary:

API
~~~

.. py:class:: VaspConvergenceWorkChain(inputs: dict | None = None, logger: logging.Logger | None = None, runner: aiida.engine.runners.Runner | None = None, enable_persistence: bool = True)
   :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain

   Bases: :py:obj:`aiida.engine.WorkChain`, :py:obj:`aiida_vasp.workchains.v2.mixins.WithBuilderUpdater`, :py:obj:`aiida_vasp.protocols.ProtocolMixin`

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.__init__

   .. py:attribute:: _sub_workchain_string
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._sub_workchain_string
      :value: 'vasp.v2.vasp'

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._sub_workchain_string

   .. py:attribute:: _sub_workchain
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._sub_workchain
      :value: None

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._sub_workchain

   .. py:attribute:: _protocol_tag
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._protocol_tag
      :value: 'conv'

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain._protocol_tag

   .. py:attribute:: ENERGY_KEY
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.ENERGY_KEY
      :value: 'energy_extrapolated'

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.ENERGY_KEY

   .. py:attribute:: option_class
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.option_class
      :value: None

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.option_class

   .. py:method:: define(spec: aiida.engine.ProcessSpec) -> None
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.define
      :classmethod:

   .. py:method:: get_builder_from_protocol(code: aiida.orm.AbstractCode, structure: aiida.orm.StructureData, protocol: None | str = None, overrides: None | dict = None, **kwargs)
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.get_builder_from_protocol
      :classmethod:

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.get_builder_from_protocol

   .. py:method:: setup() -> None
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.setup

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.setup

   .. py:method:: launch_conv_calcs() -> None
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.launch_conv_calcs

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.launch_conv_calcs

   .. py:method:: analyse() -> None
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.analyse

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.analyse

   .. py:method:: get_conv_data(conv_work: aiida.orm.WorkChainNode, plot: bool = False, **plot_kwargs: typing.Any) -> tuple[typing.Any, typing.Any]
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.get_conv_data
      :staticmethod:

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.get_conv_data

.. py:function:: get_conv_data(conv_work: aiida.orm.WorkChainNode) -> tuple[typing.Any, typing.Any]
   :canonical: aiida_vasp.workchains.v2.converge.get_conv_data

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.get_conv_data

.. py:function:: plot_conv_data(cdf: typing.Any, kdf: typing.Any, **kwargs: typing.Any) -> list[typing.Any]
   :canonical: aiida_vasp.workchains.v2.converge.plot_conv_data

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.plot_conv_data

.. py:function:: get_convergence_builder(structure: aiida.orm.StructureData, config: dict[str, typing.Any])
   :canonical: aiida_vasp.workchains.v2.converge.get_convergence_builder

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.converge.get_convergence_builder