pygau2grid
D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid
D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid
To install this package, run one of the following:
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).
Summary
D.G.A. Smith's C-based python module for fast computation of a Gaussian and its derivative on a grid
Information Last Updated
Mar 25, 2025 at 16:23
License
BSD-3-Clause
Total Downloads
2.0K
Platforms
GitHub Repository
https://github.com/dgasmith/gau2grid