Andy Simmonett

That sounds like a great solution to me :)

Hi @peterbygrave. That would be very easy to add in a janky way for sure; all of the components needed are there. The potential has three components: direct, reciprocal and...

Thanks for a clear exposition of the problem. This is one that will be fixed as part of the in-progress integral overhaul. At one point we had a relatively slow...

Oops, I missed your comment. The old `addBasis` still works the same way, and the normalization associated with it is appropriate for external basis functions derived from density fitting. In...