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cersonsky-lab / AniSOAP

Library for computing anisotropy extension to SOAP descriptors
Apache License 2.0
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fix to include self-terms in neighborlist #4

Closed rosecers closed 1 year ago

rosecers commented 1 year ago

Once https://github.com/Luthaf/rascaline/pull/175 is merged, this pull-request will automatically include self-terms in anisoap neighborlists.