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metatensor / featomic Public

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Fixed double-counting of periopdic image pairs#260

Merged

Luthaf merged 4 commits intomastermetatensor/featomic:masterfrom fix-neighbors-listmetatensor/featomic:fix-neighbors-listCopy head branch name to clipboard

Feb 16, 2024

+253-53

Conversation Commits4 (4)Checks Files changed

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Commits on Feb 15, 2024

Fixed double-counting of periopdic image pairs

liam-o-marsh
authored and
Luthaf
committed
Update all calculators to remove neighbors list workaround
Luthaf
committed
Also filter pairs in ASE neighbors list
Luthaf
committed
Make sure to look in enough sub-cells when computing neighbors list
Luthaf
committed

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