:py:mod:`aiida_vasp.calcs.immigrant` ==================================== .. py:module:: aiida_vasp.calcs.immigrant .. autodoc2-docstring:: aiida_vasp.calcs.immigrant :allowtitles: Module Contents --------------- Classes ~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`VaspCalcImporter ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.VaspCalcImporter :summary: Functions ~~~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`get_incar_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_incar_input :summary: * - :py:obj:`get_poscar_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_poscar_input :summary: * - :py:obj:`get_potcar_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_potcar_input :summary: * - :py:obj:`get_kpoints_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_kpoints_input :summary: * - :py:obj:`get_chgcar_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_chgcar_input :summary: * - :py:obj:`get_wavecar_input ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_wavecar_input :summary: Data ~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`logger ` - .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.logger :summary: API ~~~ .. py:data:: logger :canonical: aiida_vasp.calcs.immigrant.logger :value: 'getLogger(...)' .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.logger .. py:class:: VaspCalcImporter :canonical: aiida_vasp.calcs.immigrant.VaspCalcImporter .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.VaspCalcImporter .. py:method:: get_builder_from_folder(code: aiida.orm.AbstractCode, remote_path: str | None = None, remote_folder: aiida.orm.RemoteData | None = None, options: None | dict[str, typing.Any] = None, settings: None | dict[str, typing.Any] = None, potential_family: None | str = None, potential_mapping: None | dict[str, str] = None, include_wavecar: bool = False, include_chgcar: bool = False, stdout_file_name: str = 'vasp_output', dummy_resources: dict[str, str] | None = None, **kwargs) -> aiida.common.extendeddicts.AttributeDict :canonical: aiida_vasp.calcs.immigrant.VaspCalcImporter.get_builder_from_folder :classmethod: .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.VaspCalcImporter.get_builder_from_folder .. py:method:: run_import(code: aiida.orm.AbstractCode, remote_path: str | None = None, remote_folder: aiida.orm.RemoteData | None = None, options: None | dict[str, typing.Any] = None, settings: None | dict[str, typing.Any] = None, potential_family: None | str = None, potential_mapping: None | dict[str, str] = None, include_wavecar: bool = False, include_chgcar: bool = False, stdout_file_name: str = 'vasp_output', dummy_resources: dict[str, str] | None = None, **kwargs) -> aiida_vasp.calcs.vasp.VaspCalculation :canonical: aiida_vasp.calcs.immigrant.VaspCalcImporter.run_import :classmethod: .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.VaspCalcImporter.run_import .. py:method:: run_import_daemon(code: aiida.orm.AbstractCode, remote_path: str | None = None, remote_folder: aiida.orm.RemoteData | None = None, options: None | dict[str, typing.Any] = None, settings: None | dict[str, typing.Any] = None, potential_family: None | str = None, potential_mapping: None | dict[str, str] = None, include_wavecar: bool = False, include_chgcar: bool = False, stdout_file_name: str = 'vasp_output', dummy_resources: dict[str, str] | None = None, **kwargs) -> plumpy.Process :canonical: aiida_vasp.calcs.immigrant.VaspCalcImporter.run_import_daemon :classmethod: .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.VaspCalcImporter.run_import_daemon .. py:function:: get_incar_input(dir_path: pathlib.Path) -> aiida.orm.Dict :canonical: aiida_vasp.calcs.immigrant.get_incar_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_incar_input .. py:function:: get_poscar_input(dir_path: pathlib.Path) -> aiida.orm.StructureData :canonical: aiida_vasp.calcs.immigrant.get_poscar_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_poscar_input .. py:function:: get_potcar_input(dir_path: pathlib.Path, structure: aiida.orm.StructureData | None = None, potential_family: str | None = None, potential_mapping: dict | None = None) -> dict[str, aiida_vasp.data.potcar.PotcarData] :canonical: aiida_vasp.calcs.immigrant.get_potcar_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_potcar_input .. py:function:: get_kpoints_input(dir_path: pathlib.Path, structure: aiida.orm.StructureData | None = None) -> aiida.orm.KpointsData :canonical: aiida_vasp.calcs.immigrant.get_kpoints_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_kpoints_input .. py:function:: get_chgcar_input(dir_path: pathlib.Path) -> aiida_vasp.data.chargedensity.ChargedensityData :canonical: aiida_vasp.calcs.immigrant.get_chgcar_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_chgcar_input .. py:function:: get_wavecar_input(dir_path: pathlib.Path) -> aiida_vasp.data.wavefun.WavefunData :canonical: aiida_vasp.calcs.immigrant.get_wavecar_input .. autodoc2-docstring:: aiida_vasp.calcs.immigrant.get_wavecar_input