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Increased Descriptor selection #77

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michaelmacisaac opened this issue Sep 29, 2022 · 1 comment
Open

Increased Descriptor selection #77

michaelmacisaac opened this issue Sep 29, 2022 · 1 comment

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@michaelmacisaac
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Hi!
Based on section 3.3 of 'Kliff a ... interatomic potentials,' adding more descriptors is being explored. I am wondering what descriptors are being considered? I am specifically wanting to explore the use of SOAP.
@mjwen
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mjwen commented Oct 2, 2022

Yes, we are exploring the possibility to support more descriptors. @ipcamit has been working on a general support of the descriptors in the DScribe package (SOAP included).

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@mjwen @michaelmacisaac