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D.G.A. Smith's C library for fast computation of a Gaussian and its derivative on a grid


  • linux-64 v2.0.7
  • osx-64 v2.0.7

conda install

To install this package run one of the following:
conda install -c psi4 gau2grid
conda install -c "psi4/label/dev" gau2grid


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).

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