kliff icon indicating copy to clipboard operation
kliff copied to clipboard

Increased Descriptor selection

Open michaelmacisaac opened this issue 2 years ago • 1 comments

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.

michaelmacisaac avatar Sep 29 '22 14:09 michaelmacisaac

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).

mjwen avatar Oct 02 '22 17:10 mjwen