pyiron_atomistics.vasp.output.DFTOutput

pyiron_atomistics.vasp.output.DFTOutput#

class pyiron_atomistics.vasp.output.DFTOutput[source]#

Bases: object

This class stores the DFT specific output

log_dict#

A dictionary of all tags and values of DFT data

Type:

dict

__init__()[source]#

Methods

__init__()

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
from_hdf(hdf)[source]#

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

to_hdf(hdf)[source]#

Save the object in a HDF5 file

Parameters:

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