ai2_kit.tool.ase module# class ai2_kit.tool.ase.AseHelper[source]# Bases: object delete_atoms(id: Union[int, List[int]], start_id=0)[source]# delete atoms by id or list of id Parameters: id – id or list of id start_id – the start id of first item, for example, in LAMMPS the id of first item is 1, in ASE it is 0 limit(n: int)[source]# read(*file_path_or_glob: str, **kwargs)[source]# set_by_ref(ref_file: str, **kwargs)[source]# set_cell(cell, scale_atoms=False, apply_constraint=True)[source]# set_pbc(pbc)[source]# write(filename: str, **kwargs)[source]# write_each_frame(filename: str, **kwargs)[source]#