Lori A. Burns
Lori A. Burns
After #3021, I'll fix this up as a dummy module like #3050, so it's ready for use.
The input file would be needed to see if it can be reproduced.
Thanks for the report -- will investigate.
Naively, this looks within the scope of a group programming project for GT. Will try to emphasize it for v1.9. Thanks for poking the issue.
@JGrantHill yes, I think it's definitely affected. The quicker solution will probably slow down the delta Hartree--Fock step b/c it won't reuse integrals. But eventually that could be restored. I'm...
Thanks for the inquiry. My impression has been that distributing a Py/C++ package through pypi was a bad idea b/c (1) if pip decided to compile rather than download, it'd...
this is targeted for v1.5?
This could be tidied up and merged for v1.9, but that would constrict pydantic to only v2. From https://github.com/MolSSI/QCElemental/issues/323, releases of qcfractal are only imminently even v2-tolerant. So I think...
> * I'm jealous you were able to pull this off, I gave up in a fit of rage the last time I tried to do this migration Yeah, there...
Hi @rdcunha, is the next couple weeks a good time to iterate on this PR? If not, we can defer until later in the semester. Thanks for the contribution!