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Autodiff for meta-GGA terms #19

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niklasschmitz opened this issue Feb 19, 2025 · 0 comments
Open

Autodiff for meta-GGA terms #19

niklasschmitz opened this issue Feb 19, 2025 · 0 comments

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@niklasschmitz
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We currently have AD fallbacks for potential_terms and kernel_terms for custom LDA and custom GGA functionals in src/interface.jl, but not yet for meta-GGA, which could be nice to experiment with (e.g. mBEEF).

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