Felix Pultar

Is this still work in progress? I would need this feature and haven't seen the new solution in `master`. > Am I understanding this correctly that (at the moment) the...

Thanks @TyBalduf and @MtoLStoN The change works! I guess it would break the API for other users if we added an option to switch between solvents? Unless the function was...

I have the same problem as @chburger describes. > > could you tell how you solved the meson problem? > > @chburger, I believe that I fixed the meson problems...

Sounds like a great idea! Would you like to add some code? You should be able to edit my PR.

Thanks for the answer and sorry for the very late reply. The calculation that gave me trouble comes from this paper: https://onlinelibrary.wiley.com/doi/epdf/10.1002/anie.201711372 In brief, the authors tried to access the...