theochem / theochem/grid

Add test; Make sure moments behave correctly when origin is shifted.

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@Ali-Tehrani is already working on this.

Since May 4, 2023.

good first issue low-priority
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Description

For moments, we can use as tests a function (e.g. a Gaussian) that is centered at the origin and also one centered off the origin. The change in solid-harmonic coefficients when you shift the origin of a moment expansion is analytically computable.

There are also some analytic formulas available.

Originally posted by @PaulWAyers in https://github.com/theochem/grid/issues/13#issuecomment-1212190396

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