Michelle Richer
Michelle Richer
> Was it this simple? If so, we should look for other places in the code where the same trick can be used. > > How did the performance change?...
See https://github.com/theochem/gbasis/issues/121#issuecomment-2192621323. This doesn't make things better, as I found out when I did a real-time profile.
> I would say that this is a partial list of features, as the Readme may rarely be entirely up-to-date. Perhaps say, instead, > ## Selected Features > > or...