Closed sirmarcel closed 7 months ago
max_radial
is exclusive while max_angular
is inclusive. This is a leftover from librascal that is there everywhere in rascaline
Oh my, okay. I guess this is a wontfix
then, I'll close it. Thanks!
This is wontfix for now yes. We might update this to be less confusing whenever we get around updating all hypers in rascaline!
Hello,
I've noticed that the
compute_zeros
function inSphericalBesselBasis
returns incorrect shapes:fails, because the returned shape is
(11, 10)
. Given that bothmax_angular
andmax_radial
are supposed to give maximum values, I would expect the shape to be(11, 11)
.This should be an easy fix, but I'm not sure if there's some subtlety with the zeroes of the Bessel function that make it more complex. Maybe @kvhuguenin can weigh in.