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Adding support for non-strict neighbor lists requests #7

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Luthaf opened this issue Nov 15, 2024 · 0 comments
Open

Adding support for non-strict neighbor lists requests #7

Luthaf opened this issue Nov 15, 2024 · 0 comments
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enhancement New feature or request

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@Luthaf
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Luthaf commented Nov 15, 2024

metatensor/metatensor#770 added the ability for models to request a non-strict NL from the MD engine, with the explicit goal of improving pair_style metatensor by removing the need to update the NL we give to the model at each step. We should implement the corresponding functionality in this repo.

@Luthaf Luthaf added the enhancement New feature or request label Nov 15, 2024
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