pygau2grid
D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid
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Description
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) , where the returned matrix dimension are the angular momentum (L) by number of requested points (p).
About
Summary
D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid
Last Updated
Dec 17, 2018 at 19:47
License
BSD-3-Clause
Total Downloads
2.0K
Supported Platforms
linux-64
macOS-64
GitHub Repository
https://github.com/dgasmith/gau2grid