: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`

   .. 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: 'WorkflowFactory(...)'

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

   .. 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)
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.define
      :classmethod:

   .. py:method:: setup()
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.setup

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

   .. py:method:: launch_conv_calcs()
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.launch_conv_calcs

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

   .. py:method:: analyse()
      :canonical: aiida_vasp.workchains.v2.converge.VaspConvergenceWorkChain.analyse

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

   .. py:method:: get_conv_data(conv_work, plot=False, **plot_kwargs)
      :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)
   :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, kdf, **kwargs)
   :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, config)
   :canonical: aiida_vasp.workchains.v2.converge.get_convergence_builder

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