Roberto Di Remigio Eikås
Roberto Di Remigio Eikås
Is there a way to fix this locally?
- [x] Add FCIDUMP capabilities within Psi4. There are currently many third-party plugins that do that and it seems needed enough to have it within the main code. Done in...
- [ ] PCM gradients _à la_ [ECP](https://github.com/psi4/psi4/blob/master/psi4/driver/procrouting/proc.py#L2108-L2145), whereby the _in vacuo_ terms are computed analytically and the PCM terms numerically. This can actually be done already on top of...
This would be a very welcome addition!
Hi, glad you like the notebook. The visualization part is not exactly the most elegant snippet ;) I've tried removing numba and served again the notebook on mybinder. I don't...
I am also affected by this issue.
## Review checklist for @robertodr ### 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...
@ryanmrichard I'm also done with my review. Apologies that it took so long! The paper is well written: I've added some very minor suggestions directly on PR 104. This tool...
I confirm CMakePP/CMinx#121 is beyond the scope of this review.
Yes, this paper should be accepted.