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Update to metatensor-torch v0.6.0 #338

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merged 1 commit into from
Nov 1, 2024
Merged

Update to metatensor-torch v0.6.0 #338

merged 1 commit into from
Nov 1, 2024

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Luthaf
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@Luthaf Luthaf commented Oct 30, 2024

This adds a pbc argument to System (for now only all True or all False is supported) and a strict option to the neighbor list. We request non-strict NL since we will make a copy & re-filter the neighbor lists anyway.


📚 Documentation preview 📚: https://rascaline--338.org.readthedocs.build/en/338/

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github-actions bot commented Oct 30, 2024

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

This adds a `pbc` argument to System (for now only all True or all False
is supported) and a `strict` option to the neighbor list. We request non-strict
NL since we will make a copy & re-filter the neighbor lists anyway.
@Luthaf Luthaf merged commit 5326b6e into main Nov 1, 2024
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@Luthaf Luthaf deleted the metatensor-torch-0.6 branch November 1, 2024 10:51
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