cgexplore.atomistic.cgx_optimisation_sequence¶ cgexplore.atomistic.cgx_optimisation_sequence(cage, name, calculation_dir, gulp_path)[source]¶ Cage optimisation sequence. TODO: This is a placeholder for a more general atomistic cage sequence. Parameters: cage (Molecule) name (str) calculation_dir (Path) gulp_path (Path) Return type: Molecule