SHIPS.scaling(db.basis,2)

Question

SHIPS.scaling(db.basis,2)

Opened this issue 5 years ago · 4 comments

I use this to mimic a Laplace preconditioner to set up the Γ matrix, how would I go about this for a 2B+ACE basis? I guess I would have to get the second derivate for the 2B basis functions and add to the diagonal?

Answer 1 · 2020-07-20T16:20:00.000Z

yes, at the moment it needs to be done by hand, but we should think about this. Is scaling not implemented for the 2B basis? Then I can do that quickly.

Answer 2 · 2020-07-20T16:51:30.000Z

scaling is not implemented for a PolyPairBasis as of yet. I can then manually split the two bases, use scaling separately and create the Γ.

Answer 3 · 2020-07-20T16:54:12.000Z

I'll try to do it today.

Answer 4 · 2022-01-24T20:58:09.000Z

is this still open ?