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Add multipolar variants of iadd and integrate, also for full grid #35

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tovrstra opened this issue Jan 23, 2019 · 2 comments
Open

Add multipolar variants of iadd and integrate, also for full grid #35

tovrstra opened this issue Jan 23, 2019 · 2 comments

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@tovrstra
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This can be done in the same way as in the hold horton.grid, by providing a list of GridFunc objects, in the canonical order of the corresponding spherical harmonics. Recursion relations for computing the spherical harmonics efficiently can be found in horton 2.x

@tovrstra
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A whole grid integration should be carried out when cutoff==NaN.

@tovrstra
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Also consider a variant of integrate that only integrates over angular degrees of freedom w.r.t. a custom center.

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