gau2grid
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 | 1.3.1-10.fc38 | - |
| Fedora 38 | 1.3.1-10.fc38 | - |
| Fedora 37 | 1.3.1-9.fc37 | - |
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Package Info
Related Packages
Package Info
- Upstream: https://github.com/dgasmith/gau2grid
- License(s): BSD
- Maintainer: jussilehtola
Related Packages
You can contact the maintainers of this package via email at
gau2grid dash maintainers at fedoraproject dot org.
Sources on Pagure