Karol M. Langner
Karol M. Langner
@berquist Any thoughts on this?
I reread this issue, and am now little confused. Is the correction added in this method a Moller-Plesset type correction? Is it a perturbation effect at all? If not, why...
Thanks for the context, @kjelljorner, I do appreciate it. Using `mpenergies` makes sense if it is an MP correction, of course. I was not aware of the details. For `scfenergies`,...
Eric is right, please use the latest master for development. We currently don't have many multiple file examples, but there are some. You can track them down in this list...
Well, there are over 2000 citations of the original cclib paper out there: https://scholar.google.com/scholar?oi=bibs&hl=en&cites=18169031345422383864 The idea would be to somehow integrate that in the docs. Don't have a clear idea...
> Hi! > I would like to work on this issue. > My idea is to use a google scholar api to extract the titles of the papers that cite...
We did some of this already (for v1.2?), but more remains.
Will review before v1.5.3 gets out.
The situation has improved a lot with Eric's moving of the doctests into regular tests. Will keep this open for v1.5.4 to do a thorough review.
The idea is to add the ability to pass URLs for ccget on the command line, so you could load things from the the web. cclib already support this internally,...