Tarini Hardikar
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.
## Review checklist for @TariniHardikar ### Conflict of interest - [x] I confirm that I have read the [JOSS conflict of interest (COI) policy](https://github.com/openjournals/joss/blob/master/COI.md) and that: I have no COIs...
Sorry, I was traveling! Will get my full review in by July 12th.
Things look great from my end - just one question for @junghans (or colleagues). I don't see any automated tests or any other test cases mentioned in the INSTALLATION link....
Thank you so much for clarifying, and adding the clear documentation, @junghans! Things look great to me, VOTCA is a very well documented and wonderful package!