ENHANCEMENT: Support for changing multiplicity

[exergonic]

Would it be possible to include the ability to change the spin multiplicity of the molecule? I see questions come up on reddit.com/r/askchemistry about singlet vs triplet orbitals, geometries, etc.

[charnley]

It is definitely possible, and shouldn't be that hard to implement. My time is very limited at the moment, but might be something for this summer. However you are very welcome to fork and commit, and I will be happy to include the changes in the live version.

[vladislavivanistsev]

Has anyone implemented this featur? You would like to try modifying the code.

[charnley]

@vladislavivanistsev Nope, this has not been implemented. However I'm working on a complete rewrite of the backend in Python for simplicity (since most of the chem-informatic is in Python). It still needs some work but I will push it github soon.