Tarini Hardikar

This might be unique to me and how I use OpenFermion, but I appreciate having all the data in one place. I tend to sort directories by molecule/ensemble, and having...

Hello! I was wondering if you ever found a fix for this issue? I'm running into the same problem with xtb 6.7.0, and I'm trying to do fixing as follows:...

Hey @pwging13, the solution mentioned here: https://github.com/grimme-lab/xtb/issues/800 worked for me.