Jonathon Misiewicz
Jonathon Misiewicz
When I attempt this, L2 complains that the angular momentum limit exceeded. Is this expected? I _should_ be able to fix this with a higher AM L2, but I'd rather...
For every duplicate test, I want to know where the duplicate is.
Okay. Please rename `cc5a` to `cc5` and update `tests/cc_index`.
@loriab Is there a hold on merging this?
> the default settings we chose are not to avoid breaking tests but because tighter settings are wholly unnecessary (and often exceedingly difficult to achieve) for transition properties. > may...
I figured as much. I'm just paranoid.
Previous investigation has shown that Psi using L2 and C++17 on Intel compilers produces catastrophically wrong energies. While most of Psi is at C++17, files that include L2 are stuck...
> > Hopefully psi4 will hit conda forge soon > > Agreed. There's some conflicting dependency issues to work out beforehand. More specifically, #2537 is the next step, AFAIK. We'd...
It's not clear to me what the issue is. Initial discussion was about updating the documentation to specify how to compile with increased max AM, but later comments seem to...
Is there anything in particular you wanted feedback on, or did you just want to see if this passed tests?