pyiron.atomistics.job.interactivewrapper module¶

class pyiron.atomistics.job.interactivewrapper.InteractiveWrapper(project, job_name)[source]¶

Bases: pyiron_base.job.interactivewrapper.InteractiveWrapper

db_entry()[source]¶

Generate the initial database entry

Returns: db_dict
Return type: (dict)

get_final_structure()[source]¶: Returns:

property structure¶

class pyiron.atomistics.job.interactivewrapper.ReferenceJobOutput(job)[source]¶

Bases: object

property cells¶

property energy_pot¶

property energy_tot¶

property forces¶

property indices¶

property positions¶

property pressures¶

property steps¶

property temperatures¶

property time¶

property unwrapped_positions¶

property volume¶