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More XC fallback implementations #569

Merged
merged 4 commits into from
Jan 22, 2022
Merged

More XC fallback implementations #569

merged 4 commits into from
Jan 22, 2022

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mfherbst
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antoine-levitt
antoine-levitt reviewed Jan 22, 2022
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My my you have fun weekends :-) but great! How did you check those?

src/xc/xc_evaluate.jl Show resolved Hide resolved
@mfherbst
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How did you check those?

Against libxc within double precision accuracy using BigFloat for our fallbacks (see unit tests).

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Ah right, duh. Great then!

@mfherbst mfherbst merged commit 650b2eb into master Jan 22, 2022
@mfherbst mfherbst deleted the more_fallbacks branch January 22, 2022 15:21
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@mfherbst @antoine-levitt