pyiron_atomistics.atomistics.structure.periodic_table.ChemicalElement

class pyiron_atomistics.atomistics.structure.periodic_table.ChemicalElement(sub)

Bases: object

An Object which contains the element specific parameters

__init__(sub)

Constructor: assign PSE dictionary to object

Methods

__init__(sub)	Constructor: assign PSE dictionary to object
add_tags(tag_dic)	Add tags to an existing element inside its specific panda series without overwriting the old tags
from_dict(obj_dict)
from_hdf(hdf)	loads an element with his parameters from the hdf5 job file and store it into its specific pandas series :param hdf: Hdfio object which will be used to read a hdf5 file :type hdf: Hdfio
to_dict()
to_hdf(hdf)	saves the element with his parameters into his hdf5 job file :param hdf: Hdfio object which will be used :type hdf: Hdfio

Attributes

tags

add_tags(tag_dic)

Add tags to an existing element inside its specific panda series without overwriting the old tags

Parameters:

tag_dic (dict) – dictionary containing e.g. key = “spin” value = “up”, more than one tag can be added at once

from_hdf(hdf)

loads an element with his parameters from the hdf5 job file and store it into its specific pandas series :param hdf: Hdfio object which will be used to read a hdf5 file :type hdf: Hdfio

to_hdf(hdf)

saves the element with his parameters into his hdf5 job file :param hdf: Hdfio object which will be used :type hdf: Hdfio