message: Removed unnecessary normalization when calculating averaged soap.
diff: @@ -63,9 +63,9 @@ class SOAP(Descriptor):
  crossover (bool): Default True, if crossover of atomic types should
  be included in the power spectrum.
  average (bool): Whether to build an average output for all selected
  - positions. Before averaging the outputs for individual atoms are
  - normalized.
  - normalize (bool): Whether to normalize the final output.
  + positions.
  + normalize (bool): Whether to normalize the final output to unit
  + length.
  sparse (bool): Whether the output should be a sparse matrix or a
  dense numpy array.
  """
  @@ -257,10 +257,8 @@ class SOAP(Descriptor):
  self._atomic_numbers
  )
  - # Create the averaged SOAP output if requested. The individual terms are
  - # normalized first.
  + # Create the averaged SOAP output if requested.
  if self._average:
  - soap_mat = soap_mat / np.linalg.norm(soap_mat, axis=1)[:, None]
  soap_mat = soap_mat.mean(axis=0)
  soap_mat = np.expand_dims(soap_mat, 0)
  