7 lines
302 B
Text
7 lines
302 B
Text
gau2grid is a python-generated C library for vectorized computation of grid to
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gaussian collocation matrices.
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The core of gau2grid is generating the collocation matrices between a real space
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grid and a gaussian basis set expanded to a given angular momenta.
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WWW: https://github.com/dgasmith/gau2grid
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