system Readers¶

Parsers for obtaining information from systems. All readers return a list of metatensor.torch.atomistic.System. The mapping which reader is used for which file type is stored in

metatensor.models.utils.data.readers.systems.SYSTEM_READERS = {'.extxyz': <function read_systems_ase>, '.xyz': <function read_systems_ase>}¶: dict: dictionary mapping file suffixes to a system reader

Implemented Readers¶

metatensor.models.utils.data.readers.systems.read_systems_ase(filename: str, dtype: dtype = torch.float32) → List[System][source]¶

Store system informations using ase.

Parameters:

filename (str) – name of the file to read
dtype (dtype) – desired data type of returned tensor

Returns:

A list of systems

Return type:

List[System]