pyiron_contrib.atomistics.mlip.mlipjob module
- class pyiron_contrib.atomistics.mlip.mlipjob.MlipJob(project, job_name)[source]
Bases:
AtomisticGenericJob
- collect_output()[source]
Collect the output files of the external executable and store the information in the HDF5 file. This method has to be implemented in the individual hamiltonians.
- from_hdf(hdf=None, group_name=None)[source]
Recreates instance from the hdf5 file :param hdf: Path to the hdf5 file :type hdf: str :param group_name: Name of the group which contains the object :type group_name: str
- property potential
- set_input_to_read_only()[source]
This function enforces read-only mode for the input classes, but it has to be implement in the individual classes.