:py:mod:`aiida_vasp.utils.workchains` ===================================== .. py:module:: aiida_vasp.utils.workchains .. autodoc2-docstring:: aiida_vasp.utils.workchains :allowtitles: Module Contents --------------- Functions ~~~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`prepare_process_inputs ` - .. autodoc2-docstring:: aiida_vasp.utils.workchains.prepare_process_inputs :summary: * - :py:obj:`compare_structures ` - .. autodoc2-docstring:: aiida_vasp.utils.workchains.compare_structures :summary: * - :py:obj:`fetch_k_grid ` - .. autodoc2-docstring:: aiida_vasp.utils.workchains.fetch_k_grid :summary: * - :py:obj:`compose_exit_code ` - .. autodoc2-docstring:: aiida_vasp.utils.workchains.compose_exit_code :summary: * - :py:obj:`site_magnetization_to_magmom ` - .. autodoc2-docstring:: aiida_vasp.utils.workchains.site_magnetization_to_magmom :summary: API ~~~ .. py:function:: prepare_process_inputs(inputs, namespaces=None, exclude_parameters=None) :canonical: aiida_vasp.utils.workchains.prepare_process_inputs .. autodoc2-docstring:: aiida_vasp.utils.workchains.prepare_process_inputs .. py:function:: compare_structures(structure_a, structure_b) :canonical: aiida_vasp.utils.workchains.compare_structures .. autodoc2-docstring:: aiida_vasp.utils.workchains.compare_structures .. py:function:: fetch_k_grid(rec_cell, k_spacing) :canonical: aiida_vasp.utils.workchains.fetch_k_grid .. autodoc2-docstring:: aiida_vasp.utils.workchains.fetch_k_grid .. py:function:: compose_exit_code(status, message) :canonical: aiida_vasp.utils.workchains.compose_exit_code .. autodoc2-docstring:: aiida_vasp.utils.workchains.compose_exit_code .. py:function:: site_magnetization_to_magmom(site_dict) :canonical: aiida_vasp.utils.workchains.site_magnetization_to_magmom .. autodoc2-docstring:: aiida_vasp.utils.workchains.site_magnetization_to_magmom