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Implement Laplacian of Electron Density #36

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FarnazH opened this issue Jan 21, 2019 · 1 comment

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FarnazH commented Jan 21, 2019

Instead of summing of the diagonal elements of Hessian matrix at a given point, it's better to directly compute the laplacian. Any thoughts?

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FarnazH commented Jan 21, 2019

It exists in MetaGG function evaluations, check: https://github.com/theochem/gbasis/blob/master/gbasis/test/test_fns.py#L824
Thanks @tovrstra.

tovrstra closed this as completed

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