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Sphericart #74

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cortner opened this issue Oct 26, 2023 · 1 comment
Closed

Sphericart #74

cortner opened this issue Oct 26, 2023 · 1 comment

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@cortner
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cortner commented Oct 26, 2023 •
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All spherical harmonics codes should switch to a sphericart based implementation. I tested this in a separate repo and will transfer it over. It is both very elegant and fast. I get about a factor 2-3 speedup on very small basis sizes (say L = 3 to 5).

On large bases there is a small speedup but it's not that significant.

See also this issue
@cortner cortner mentioned this issue Nov 15, 2023
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cortner commented Jun 19, 2024

closed by #84

@cortner cortner closed this as completed Jun 19, 2024
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