message: Fixed issue in LMBTR when no positions were specified for a job with multiple samples.
diff: @@ -243,6 +243,15 @@ class LMBTR(MBTR):
  # Combine input arguments
  n_samples = len(system)
  + if positions is None:
  + inp = [(i_sys,) for i_sys in system]
  + else:
  + n_pos = len(positions)
  + if n_pos != n_samples:
  + raise ValueError(
  + "The given number of positions does not match the given"
  + "number of systems."
  + )
  inp = list(zip(system, positions))
  # Determine if the outputs have a fixed size
  @@ -284,7 +293,7 @@ class LMBTR(MBTR):
  def create_single(
  self,
  system,
  - positions,
  + positions=None,
  ):
  """Return the local many-body tensor representation for the given
  system and positions.
  @@ -295,7 +304,8 @@ class LMBTR(MBTR):
  which local_mbtr is created. Can be a list of integer numbers
  or a list of xyz-coordinates. If integers provided, the atoms
  at that index are used as centers. If positions provided, new
  - atoms are added at that position.
  + atoms are added at that position. If no positions are provided,
  + all atoms in the system will be used as centers.
  Returns:
  1D ndarray: The local many-body tensor representations of given
  