[ ソース: gau2grid ]
パッケージ: libgg-dev (2.0.7-2 など)
Computing gaussians on a grid (development files)
gau2grid is a python-generated C library for vectorized computation of grid to gaussian collocation matrices. The core of gau2grid is generating the collocation matrices between a real space grid and a gaussian basis set expanded to a given angular momenta.
This package contains the header and cmake support files.