python3-gau2grid

Computing gaussians on a grid (Python 3 module)

Description

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.

This package contains the python3 module.

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Homepage

https://github.com/dgasmith/gau2grid/


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