Gernot Bauer

> About the fact that noob-friendly docs would be another (and admittedly better) way to help new users in, being much "noobier" than almost everyone you can expect to use...

> We could store both of them in the Molecule struct. It is not clear to me: Where would we get e.g the bonding length from? Would we check the...

> the initial configuration. This might be bad as we might not get the same bond length for every bond; Yepp. Also, if we want to insert a molecule, we...

I really like your proposal. > For GCMC moves, we also need the atomic positions Actually, we don't need the positions. We can compute them based on the insertion scheme,...

Yes it's quite easy to implement. I'd add fixed bonds/angles as soon as we decide on how to communicate constraints.

Would you also use this declaration of molecules to create or check bonds/angles/dihedrals from the positions in the start configuration?

Apologies, I did not express myself very well here. > Actually, the way I though of this was to assign molecule types by checking if the definition in the input...

@ianhbell Pure fluids for now. I noticed [in the SAFT-VR Mie notebook](https://github.com/feos-org/feos/blob/main/examples/saftvrmie/validate_lafitte.ipynb) when I tried to reproduce Lafitte's results that some seemingly converged results are not correct. Changing the initial...

Hey @fcyu0512 - there is currently no model for the thermal conductivity of mixtures implemented in our code. However, if you have a specific entropy-scaling model in mind that you...

Sounds great! Where would we include this in the docs? Currently we have `PYTHON` and `RUST` as sections in the TOC on the lhs of our documentation (github pages). Would...