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

.. py:module:: aiida_vasp.workchains.v2.vasp

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

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

Classes
~~~~~~~

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

   * - :py:obj:`VaspWorkChain <aiida_vasp.workchains.v2.vasp.VaspWorkChain>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain
          :summary:

Functions
~~~~~~~~~

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

   * - :py:obj:`list_valid_objects_in_remote <aiida_vasp.workchains.v2.vasp.list_valid_objects_in_remote>`
     - .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.list_valid_objects_in_remote
          :summary:

API
~~~

.. py:class:: VaspWorkChain(*args, **kwargs)
   :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain

   Bases: :py:obj:`aiida.engine.processes.workchains.restart.BaseRestartWorkChain`, :py:obj:`aiida_vasp.workchains.v2.mixins.WithBuilderUpdater`

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain

   .. rubric:: Initialization

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.__init__

   .. py:attribute:: _verbose
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._verbose
      :value: False

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._verbose

   .. py:attribute:: _process_class
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._process_class
      :value: 'CalculationFactory(...)'

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._process_class

   .. py:attribute:: _algo_switching
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._algo_switching
      :value: None

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._algo_switching

   .. py:method:: define(spec)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.define
      :classmethod:

   .. py:method:: setup()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.setup

   .. py:method:: _init_parameters()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._init_parameters

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._init_parameters

   .. py:method:: verbose_report(*args, **kwargs)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.verbose_report

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.verbose_report

   .. py:method:: prepare_inputs()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.prepare_inputs

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.prepare_inputs

   .. py:method:: update_magmom(node=None)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.update_magmom

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.update_magmom

   .. py:method:: init_inputs()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.init_inputs

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.init_inputs

   .. py:method:: run_auto_parallel()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.run_auto_parallel

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.run_auto_parallel

   .. py:method:: perform_autoparallel()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.perform_autoparallel

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.perform_autoparallel

   .. py:property:: is_noncollinear
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.is_noncollinear

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.is_noncollinear

   .. py:method:: on_except(exc_info)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.on_except

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.on_except

   .. py:method:: on_terminated()
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.on_terminated

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.on_terminated

   .. py:method:: handler_always_attach_outputs(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_always_attach_outputs

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_always_attach_outputs

   .. py:method:: handler_calculation_did_not_run(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_calculation_did_not_run

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_calculation_did_not_run

   .. py:method:: handler_misc_not_exist(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_misc_not_exist

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_misc_not_exist

   .. py:method:: handler_unfinished_calc_ionic(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_ionic

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_ionic

   .. py:method:: handler_unfinished_calc_ionic_alt(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_ionic_alt

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_ionic_alt

   .. py:method:: handler_unfinished_calc_generic_alt(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_generic_alt

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_generic_alt

   .. py:method:: handler_unfinished_calc_generic(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_generic

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_unfinished_calc_generic

   .. py:method:: handler_electronic_conv_alt(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_electronic_conv_alt

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_electronic_conv_alt

   .. py:method:: handler_electronic_conv(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_electronic_conv

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_electronic_conv

   .. py:method:: handler_ionic_conv_enhanced(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_ionic_conv_enhanced

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_ionic_conv_enhanced

   .. py:method:: handler_ionic_conv(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_ionic_conv

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_ionic_conv

   .. py:method:: handler_vasp_critical_error(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_vasp_critical_error

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.handler_vasp_critical_error

   .. py:method:: check_misc_output(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_misc_output

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_misc_output

   .. py:method:: check_calc_is_finished(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_calc_is_finished

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_calc_is_finished

   .. py:method:: check_electronic_converged(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_electronic_converged

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_electronic_converged

   .. py:method:: check_ionic_converged(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_ionic_converged

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.check_ionic_converged

   .. py:method:: ignore_nelm_breach_relax(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain.ignore_nelm_breach_relax

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain.ignore_nelm_breach_relax

   .. py:method:: _calculation_sanity_checks(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._calculation_sanity_checks

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._calculation_sanity_checks

   .. py:method:: _update_last_calc_objects(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._update_last_calc_objects

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._update_last_calc_objects

   .. py:method:: _setup_restart(node)
      :canonical: aiida_vasp.workchains.v2.vasp.VaspWorkChain._setup_restart

      .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.VaspWorkChain._setup_restart

.. py:function:: list_valid_objects_in_remote(remote, path='.', size_threshold=0) -> list
   :canonical: aiida_vasp.workchains.v2.vasp.list_valid_objects_in_remote

   .. autodoc2-docstring:: aiida_vasp.workchains.v2.vasp.list_valid_objects_in_remote