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gau2grid

2.0.7_1

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.

Origin: math/gau2grid
Category: math
Size: 1.59MiB
License: BSD3CLAUSE
Maintainer: yuri@FreeBSD.org
Dependencies: 0 packages
Required by: 1 packages
Website: github.com/dgasmith/gau2grid
$pkg install gau2grid

Required By (1 packages)

psi4

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