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.
Release | Stable | Testing |
---|---|---|
Fedora Rawhide | 1.3.1-6.fc35 | - |
Fedora 35 | 1.3.1-6.fc35 | - |
Fedora 34 | 1.3.1-5.fc34 | - |
You can contact the maintainers of this package via email at
gau2grid dash maintainers at fedoraproject dot org
.