Shiv Upadhyay

> Now it looks like there are problems with bulleted lists in Sphinx. Am I just missing this? Can you link to where its breaking?

Unpublished the second and forced https on the first. I didn't want to unpublish until everything seemed resolved, but it seems like we are good

hi @fevangelista , Thanks! I had ended up making progress on this. I was just doing this educate myself so I had only tried to reproduce the NEO-CCSD energy expression.I...

Hi I'm not a maintainer, and I do think this flexibility is nice. However for your case couldn't you use `Spectra::GenEigsRealShiftSolver` with $\sigma=0.0$ combined with the `Spectra::SortRule::SmallestMagn`?

Oh I understand now. You are right.

This is too much to go over in a code review but this reminds me of https://craftinginterpreters.com/representing-code.html#the-expression-problem: is it better for us to have properties as classes/programs as methods, or...

This is the "same" in every parser. The `atombasis.known_codes` can be abstracted if it's made a `classmethod`, then it becomes `cls.known_codes`, `getattr(cls, program)`, etc., which just leaves the return type....

> ``` > This is too much to go over in a code review but this reminds me of https://craftinginterpreters.com/representing-code.html#the-expression-problem: is it better for us to have properties as classes/programs...

Update conversion values in `utils.convertor`

I'm going to generalize this. I think generalizing `cclib` to periodic calculations isn't a bad idea and there are other programs cp2k, crystal, quantum package, etc. That will generate data...