pyiron_atomistics.vasp.output.GenericOutput

class pyiron_atomistics.vasp.output.GenericOutput

Bases: GenericOutput

This class stores the generic output like different structures, energies and forces from a simulation in a highly generic format. Usually the user does not have to access this class.

log_dict

A dictionary of all tags and values of generic data (positions, forces, etc)

Type:

dict

__init__()

Methods

__init__()
from_hdf(hdf)	Reads the attributes and reconstructs the object from a hdf file :param hdf: The hdf5 instance
to_dict()
to_hdf(hdf)	Save the object in a HDF5 file

Attributes

bands

from_hdf(hdf)

Reads the attributes and reconstructs the object from a hdf file :param hdf: The hdf5 instance

to_hdf(hdf)

Save the object in a HDF5 file

Parameters:

hdf (pyiron_base.generic.hdfio.ProjectHDFio) – HDF path to which the object is to be saved