Fedora Packages


Fast computation of a gaussian function and its derivative on a grid

A collocation code for computing gaussians on a grid of the form: out_Lp = x^l y^m z^n \sum_i coeff_i e^(exponent_i * (|center - p|)^2) This version has been built with -DCARTESIAN_ORDER=row -DSPHERICAL_ORDER=gaussian for compatibility with psi4.

Releases Overview

Release Stable Testing
Fedora Rawhide 1.3.1-11.fc39 -
Fedora 39 1.3.1-11.fc39 -
Fedora 38 1.3.1-10.fc38 -
Fedora 37 1.3.1-9.fc37 -
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You can contact the maintainers of this package via email at gau2grid dash maintainers at fedoraproject dot org.

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