Fast computation of a gaussian and its derivative on a grid
gau2grid is a python-generated C library for vectorized computation of grid to gaussian collocation matrices. The core of gau2grid is generating the collocation matrices between a real space grid and a gaussian basis set expanded to a given angular momenta.
$
pkg install py311-gau2gridOrigin
math/py-gau2grid
Size
1.77MiB
License
BSD3CLAUSE
Maintainer
yuri@FreeBSD.org
Dependencies
2 packages
Required by
1 packages