create_soap_descriptor

create_soap_descriptor#

autoplex.data.common.utils.create_soap_descriptor(soap_paras, n_species, species_Z)[source]#

Generate a SOAP descriptor string based on the given parameters.

Parameters:

  • soap_paras (dict[str, int | float | str]) – A dictionary containing SOAP parameters.

  • n_species (int) – The number of species.

  • species_Z (str) – A string representing species Z.

Return type:

str