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Add citations for parameters #90

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foxtran opened this issue Sep 23, 2024 · 1 comment · Fixed by #104
Closed

Add citations for parameters #90

foxtran opened this issue Sep 23, 2024 · 1 comment · Fixed by #104
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parameters Damping parameters for functionals

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@foxtran
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foxtran commented Sep 23, 2024

It would be nice to know who proposed one or the other parameters of D3 corrections. It is also helpful for users who does not know who to cite.
@awvwgk
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awvwgk commented Sep 23, 2024

This information is available in the https://github.com/dftd3/simple-dftd3/blob/main/assets/parameters.toml at the moment. It would be great to have support in the library itself to return the citation information.

@awvwgk awvwgk added the parameters Damping parameters for functionals label Sep 23, 2024
@awvwgk awvwgk mentioned this issue Sep 28, 2024
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Add citations for damping parameters awvwgk/simple-dftd3
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