Brandon Bocklund

I'm hesitant about this because (if I understand #419) I believe that in FactSage giving both `CO` and `Co` as uppercase `CO` in the DAT file would work correctly. As...

I'm not sure I know what you're referring to about stoichiometry. The constituent species are known via the `Database().phases` `Phase` objects. And the mass of pure elements are coming from...

I think I understand your question now. According to #419, the DAT lets us get the pure elements constituents of any species. We could construct a name from that, rather...

This error is actually caused by the `'` at the end of `DATABASE_INFO'`. If this is changed to be `DATABASE_INFO '` (with a space between the tokens `DATABASE_INFO` and `'`),...

Hi @dpttw, if all of your output chemical potentials are `nan`, that is usually indicating a convergence failure. Can you create a [minimal, complete and verifiable example](https://stackoverflow.com/help/minimal-reproducible-example) that we can...

This might be caused by ` v.X('CR'): 0`, setting the composition condition to `1e-14` or another small, near zero number should fix it.

@richardotis you're right. Maybe this is another example case of https://github.com/pycalphad/pycalphad/issues/271, but instead of converging to a wrong answer, it doesn't converge at all. Anecdotally, I've seen this come up...

It looks like it's not solver related, but it's because the solver doesn't even run because of this check: https://github.com/pycalphad/pycalphad/blob/373d1212c2a350239195ea4c7b984d26648fec47/pycalphad/core/eqsolver.pyx#L197

Not that this doesn't affect the solver as well - I commented out that check and it still fails to converge. It looks like the `allowed_mass_residual` gets set to `-1.000000082740371e-11`...

Thank you @arosen93, understood. `add_site_property` seems to be the solution. Your PR in #2342 is definitely helpful, but I didn't know that the `add_site_property` method existed and so the improved...