message: Added the missing cutoff evaluation to K=3.
diff: @@ -671,6 +671,7 @@ class MBTR(Descriptor):
  weighting_function = None
  if self.weighting is not None and self.weighting.get("k3") is not None:
  weighting_function = self.weighting["k3"]["function"]
  + cutoff = self.weighting["k3"]["threshold"]
  # Here we go through all the 3-permutations of the atoms in the system
  permutations = itertools.permutations(indices, 3)
  @@ -700,6 +701,8 @@ class MBTR(Descriptor):
  dist2 = distance_matrix[j_atom, k_atom]
  dist3 = distance_matrix[k_atom, i_atom]
  weight = weighting_function(dist1 + dist2 + dist3)
  + if weight < cutoff:
  + continue
  else:
  weight = 1
  