Closed zjp closed 1 week ago
Yeah, these clearly are bugs on my part from working on a copy-pasted code from the Gaussian source file, good spot! I added just a little note, but otherwise, if this works on your end, happy to merge it after the minor change.
Thank you! I'll make the requested change and push it after testing.
Thanks for this. I'll go through this and other your pull requests next week, things should get slightly calmer then.
This patch is intended to get NWChem output files properly imported, and it also picks a more reliable (less verbose) target for reading the relevant data.