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[ 源代码: gau2grid  ]

软件包:libgg2(2.0.7-1)

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Computing gaussians on a grid

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 shared library.

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