Michael F. Herbst

Honestly ... you're the conda guy. If you think that will make things easier, go for it!

Thanks for reporting this. > I expected to get zeros for these states. Even if the values are not zeros, they should be at least symmetric for degenerate states. Same...

Indeed I checked with Q-Chem. Even with symmetry disabled they get a dipole moment of identically zero for all three states. I can see how this is nicer from a...

Puh ... perhaps first find out what locations the "sandbox" covers and adapt the default location for libtensor? Or alternatively provide a small script in the libtensor repo which basically...

While we're on it, we should restructure the example files. Best would be to restructure according to topics (properties, plotting, X-ray) and put a readme in each subdirectory, which can...

That's a good point, but I'm very suspicious about this. The point of adcc is not to be like one of the traditional text-in, text-out codes. Perhaps one could commit...

Agree. I never used logger either, but it seems exactly what we want. I don't know the details how it works. Maybe it's no problem to integrate that sensibly with...

What I would do is that the standard workflow (that includes davidson output any sort of progress prints, intermediate results etc) goes to the logger. If you "display" an object...

Cheers for the bug report @obackhouse ! ~~Yes that definitely is not intended behaviour.~~ **Update:** See below.

Ah wait ... I was reading to quickly. You are combining in one `direct_sum` tensor axes from different Reference states (and thus different mospaces). I would not have expected this...