Adding pymatgen support to xtb, dftd4, s-dftd3 and other projects

[awvwgk]

The input library for the xtb package, dftd4 package, s-dftd3 package and other related projects now supports to read JSON files with pymatgen Molecule and Structure schema. This means future versions of these programs will be able to directly start calculations from a JSON dumped Molecule or Structure instance and in case of xtb also produce output from geometry optimizations and similar in pymatgen compatible JSON format.

I would be curious if you are aware of compiled packages which natively support standardized JSON based inputs (like pymatgen, QCSchema or chemical JSON).