pyiron.thermodynamics.hessian module¶
-
class
pyiron.thermodynamics.hessian.
HessianJob
(project, job_name)[source]¶ Bases:
pyiron.atomistics.job.interactive.GenericInteractive
-
from_hdf
(hdf=None, group_name=None)[source]¶ Restore the ExampleJob object in the HDF5 File
- Parameters
hdf (ProjectHDFio) – HDF5 group object - optional
group_name (str) – HDF5 subgroup name - optional
-
run_if_interactive
()[source]¶ Run the job as Python library and store the result in the HDF5 File.
- Returns
job ID
- Return type
int
-
to_hdf
(hdf=None, group_name=None)[source]¶ Store the ExampleJob object in the HDF5 File
- Parameters
hdf (ProjectHDFio) – HDF5 group object - optional
group_name (str) – HDF5 subgroup name - optional
-