:py:mod:`aiida_vasp.calcs.base` =============================== .. py:module:: aiida_vasp.calcs.base .. autodoc2-docstring:: aiida_vasp.calcs.base :allowtitles: Module Contents --------------- Classes ~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`VaspCalcBase ` - .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase :summary: API ~~~ .. py:class:: VaspCalcBase(*args, **kwargs) :canonical: aiida_vasp.calcs.base.VaspCalcBase Bases: :py:obj:`aiida.engine.CalcJob` .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase .. rubric:: Initialization .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.__init__ .. py:attribute:: _default_parser :canonical: aiida_vasp.calcs.base.VaspCalcBase._default_parser :value: 'vasp.vasp' .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase._default_parser .. py:method:: define(spec: aiida.engine.processes.calcjobs.calcjob.CalcJobProcessSpec) -> None :canonical: aiida_vasp.calcs.base.VaspCalcBase.define :classmethod: .. py:method:: max_retrieve_list() -> list[str] :canonical: aiida_vasp.calcs.base.VaspCalcBase.max_retrieve_list :classmethod: .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.max_retrieve_list .. py:method:: prepare_for_submission(folder: aiida.common.folders.Folder) -> aiida.common.CalcInfo :canonical: aiida_vasp.calcs.base.VaspCalcBase.prepare_for_submission .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.prepare_for_submission .. py:method:: remote_copy_restart_folder() -> list[tuple[str, str, str]] :canonical: aiida_vasp.calcs.base.VaspCalcBase.remote_copy_restart_folder .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.remote_copy_restart_folder .. py:method:: verify_inputs() -> bool :canonical: aiida_vasp.calcs.base.VaspCalcBase.verify_inputs .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.verify_inputs .. py:method:: check_restart_folder() -> None :canonical: aiida_vasp.calcs.base.VaspCalcBase.check_restart_folder .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.check_restart_folder .. py:method:: _is_restart() -> bool :canonical: aiida_vasp.calcs.base.VaspCalcBase._is_restart .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase._is_restart .. py:method:: store(*args: typing.Any, **kwargs: typing.Any) -> None :canonical: aiida_vasp.calcs.base.VaspCalcBase.store .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.store .. py:method:: _prestore() -> None :canonical: aiida_vasp.calcs.base.VaspCalcBase._prestore .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase._prestore .. py:method:: write_additional(folder: aiida.common.folders.Folder, calcinfo: aiida.common.CalcInfo) -> None :canonical: aiida_vasp.calcs.base.VaspCalcBase.write_additional .. autodoc2-docstring:: aiida_vasp.calcs.base.VaspCalcBase.write_additional