pub fn save_ase(
py: Python<'_>,
path: &str,
atoms: &Bound<'_, PyAny>,
compression_level: i32,
lossless: bool,
) -> PyResult<()>Expand description
Save an ASE Atoms object to a TACO file.
This is a convenience alias for write() with a single Atoms object.
:param path: Path to the output file. :type path: str :param atoms: ASE Atoms object. :type atoms: ase.Atoms :param compression_level: Compression level (1-22). Default is 3. :type compression_level: int, optional :param lossless: Use lossless compression for all data. Default is False. :type lossless: bool, optional
Example::
>>> import taco_format
>>> atoms = ase.Atoms('H2O')
>>> taco_format.save_ase('test.taco', atoms)