Python API Result objects from CLI, or parameterization in Python API

[Oliver-Feighan]

Hi all,

I was wondering if it's possible to output the same information that the Python API Result object contains, namely the orbital energies, occupations and coefficients, as well as the density matrix and overlap matrix, from the CLI interface.

Alternatively, it is possible to alter the xTB parameters in the Python API (I can see this is similar to #86 ).

Thanks for all the support, this is a great project!