sitator.site_descriptors.backend package¶
Submodules¶
sitator.site_descriptors.backend.dscribe module¶
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sitator.site_descriptors.backend.dscribe.dscribe_soap_backend(soap_params={})¶
sitator.site_descriptors.backend.quip module¶
quip.py: Compute SOAP vectors for given positions in a structure using the command line QUIP tool
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sitator.site_descriptors.backend.quip.quip_soap_backend(soap_params={}, quip_path='quip')¶