I’m interested in using Psi to calculate cubeprop features, like LOL, ELF, etc.
Ideally, I’d like to read in a file, like a Molden or fchk file so I don’t have to re-do the single-point calculation. (I can write in other formats like QCSchema or CJSON if those might be easier, e.g. orbital ordering.)
I’ve looked through the docs and forum, and a few people have asked, but it seems like this isn’t possible. Do I just need to re-run single points from the geometry to get a wavefunction for my ELF?