pyscfad.ml.gto.basis_array.make_basis_array# pyscfad.ml.gto.basis_array.make_basis_array(basis, max_number=118)[source]# Construct a padded array to represent a GTO basis set. Parameters: basis (str | dict) – Raw basis set. max_number (int) – Maximum atomic number. Return type: BasisArray Notes Padded atoms have atomic numbers as zeros.
