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.Upload more screenshots
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Homepage
https://github.com/dgasmith/gau2grid/
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