Update Jobflow example

[JaGeo]

@QuantumChemist I am implementing some updates in the next days.

I would also like to check if we can simplify the code if we swtich from Atoms to MSONAtoms in the functions.

[QuantumChemist]

Okidoki, let me know if I can help somehow. :)

[JaGeo]

I will likely ask you for further feedback and ideas. 😀

[JaGeo]

@jan-janssen I also tried to make the structures JSON serializable. One just needs to use MSONAtoms(atom_object) as a converter.

Once we have all contributions, we might want to see again how to move forward with regard to a potential publication.

[jan-janssen]

@jan-janssen I also tried to make the structures JSON serializable. One just needs to use MSONAtoms(atom_object) as a converter.

I agree, while we do not want to define a "Standard", still including the recommendation to choose data types which are JSON-able makes a lot of sense.

Once we have all contributions, we might want to see again how to move forward with regard to a potential publication.

I still try to reach @mbercx