[ 源代码: gau2grid ]
软件包:python3-gau2grid(2.0.7-2 以及其他的)
Computing gaussians on a grid (Python 3 module)
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 python3 module.
其他与 python3-gau2grid 有关的软件包
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
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- dep: python3-numpy
- 用于 Python 语言的快速数组运算库(Python 3)