:py:mod:`aiida_vasp.commands.potcar` ==================================== .. py:module:: aiida_vasp.commands.potcar .. autodoc2-docstring:: aiida_vasp.commands.potcar :allowtitles: Module Contents --------------- Functions ~~~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`potcar ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.potcar :summary: * - :py:obj:`try_grab_description ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.try_grab_description :summary: * - :py:obj:`detect_old_style_groups ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.detect_old_style_groups :summary: * - :py:obj:`uploadfamily ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.uploadfamily :summary: * - :py:obj:`upload_from_pymatgen ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.upload_from_pymatgen :summary: * - :py:obj:`listfamilies ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.listfamilies :summary: * - :py:obj:`exportfamily ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.exportfamily :summary: * - :py:obj:`migratefamilies ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.migratefamilies :summary: Data ~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`VERDI_DATA ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.VERDI_DATA :summary: * - :py:obj:`FUNCTIONAL_CHOICES ` - .. autodoc2-docstring:: aiida_vasp.commands.potcar.FUNCTIONAL_CHOICES :summary: API ~~~ .. py:data:: VERDI_DATA :canonical: aiida_vasp.commands.potcar.VERDI_DATA :value: 'cmp_load_verdi_data(...)' .. autodoc2-docstring:: aiida_vasp.commands.potcar.VERDI_DATA .. py:data:: FUNCTIONAL_CHOICES :canonical: aiida_vasp.commands.potcar.FUNCTIONAL_CHOICES :value: ['PBE', 'PBE_52', 'PBE_52_W_HASH', 'PBE_54', 'PBE_54_W_HASH', 'PBE_64', 'LDA', 'LDA_52', 'LDA_52_W_H... .. autodoc2-docstring:: aiida_vasp.commands.potcar.FUNCTIONAL_CHOICES .. py:function:: potcar() :canonical: aiida_vasp.commands.potcar.potcar .. autodoc2-docstring:: aiida_vasp.commands.potcar.potcar .. py:function:: try_grab_description(ctx, param, value) :canonical: aiida_vasp.commands.potcar.try_grab_description .. autodoc2-docstring:: aiida_vasp.commands.potcar.try_grab_description .. py:function:: detect_old_style_groups() :canonical: aiida_vasp.commands.potcar.detect_old_style_groups .. autodoc2-docstring:: aiida_vasp.commands.potcar.detect_old_style_groups .. py:function:: uploadfamily(path, name, description, stop_if_existing, dry_run) :canonical: aiida_vasp.commands.potcar.uploadfamily .. autodoc2-docstring:: aiida_vasp.commands.potcar.uploadfamily .. py:function:: upload_from_pymatgen(functional, name, description, stop_if_existing, dry_run) :canonical: aiida_vasp.commands.potcar.upload_from_pymatgen .. autodoc2-docstring:: aiida_vasp.commands.potcar.upload_from_pymatgen .. py:function:: listfamilies(element, symbol, description) :canonical: aiida_vasp.commands.potcar.listfamilies .. autodoc2-docstring:: aiida_vasp.commands.potcar.listfamilies .. py:function:: exportfamily(path, name, dry_run, as_archive, verbose) :canonical: aiida_vasp.commands.potcar.exportfamily .. autodoc2-docstring:: aiida_vasp.commands.potcar.exportfamily .. py:function:: migratefamilies() :canonical: aiida_vasp.commands.potcar.migratefamilies .. autodoc2-docstring:: aiida_vasp.commands.potcar.migratefamilies