The pyiron_dataclasses module provides a series of dataclasses
for the pyiron workflow framework. It can load HDF5 files created by pyiron_atomistics and read the content stored
in those files, without depending on pyiron_atomistics. Furthermore, it is not fixed to a single version of
pyiron_atomistics but rather matches multiple versions of pyiron_atomistics to the same API version of
pyiron_dataclasses.
Using the get_dataclass() function of the built-in converter:
from h5io_browser import read_dict_from_hdf
from pyiron_dataclasses import get_dataclass_v1
job_classes = get_dataclass(
job_dict=read_dict_from_hdf(
file_name=job.project_hdf5.file_name,
h5_path="/",
recursive=True,
slash='ignore',
)[job.job_name]
)
job_classesSupported versions of pyiron_atomistics:
Previous versions of pyiron_atomistics:
0.6.25- Feb 21 2025 (Python 3.12)0.7.20- Sep 27 2025 (Python 3.12)
pyiron_atomistics version 0.8.X:
0.8.0- Sep 30 2025 (Python 3.12)0.8.1- Oct 7 2025 (Python 3.13)0.8.2- Nov 1 2025 (Python 3.13)0.8.3- Nov 7 2025 (Python 3.13)0.8.4- Nov 10 2025 (Python 3.13)0.8.5- Nov 30 2025 (Python 3.13)