message: ACSF more polish
diff: @@ -71,7 +71,7 @@ class ACSF(Descriptor):
  self._Zs = None
  self._bond_params = None
  - self.bond_params = bond_params # np.array([[5.0, 0.0],[1.0, 0.0],[0.5, 0.0],[0.1, 0.0]])
  + self.bond_params = bond_params
  self._bond_cos_params = None
  self.bond_cos_params = bond_cos_params
  @@ -86,7 +86,7 @@ class ACSF(Descriptor):
  self._ang_params = None
  - self.ang_params = ang_params # np.array([[0.1, 1, 1],[0.1, 1, -1],[0.1, 2, 1],[0.1, 2, -1]])
  + self.ang_params = ang_params
  msg = "ACSF: 3-body contains "
  if not (self._ang_params is None):
  @@ -134,7 +134,7 @@ class ACSF(Descriptor):
  pmatrix = np.unique(pmatrix)
  pmatrix = np.sort(pmatrix)
  - print("Setting types to: "+str(pmatrix))
  + print("ACSF: setting types to: "+str(pmatrix))
  self._types = pmatrix
  self._obj.types = pmatrix.ctypes.data_as(POINTER(c_int))
  @@ -142,7 +142,7 @@ class ACSF(Descriptor):
  # set the internal indexer
  self._obj.nTypes = c_int(pmatrix.shape[0])
  self._obj.nSymTypes = c_int(int((pmatrix.shape[0]*(pmatrix.shape[0]+1))/2))
  - # print("nSymTypes ",self._obj.nSymTypes)
  +
  for i in range(pmatrix.shape[0]):
  self._obj.typeID[ self._types[i]] = i
  