message: Core: fixed bug in Neighbours for multi-atom basis cells.
  The cell_atoms were still multiplied by the bravais vectors, although they are already in spacial units at that point.
diff: @@ -36,9 +36,7 @@ namespace Engine
  current_radius = 1e10;
  for (iatom = 0; iatom < geometry.n_cell_atoms; ++iatom)
  {
  - x0 = geometry.cell_atoms[iatom][0] * a
  - + geometry.cell_atoms[iatom][1] * b
  - + geometry.cell_atoms[iatom][2] * c;
  + x0 = geometry.cell_atoms[iatom];
  // Note: due to symmetry we only need to check half the space
  for (i = imax; i >= 0; --i)
  {
  @@ -50,10 +48,7 @@ namespace Engine
  {
  if ( !( iatom==jatom && i==0 && j==0 && k==0 ) )
  {
  - x1 = geometry.cell_atoms[jatom][0] * a
  - + geometry.cell_atoms[jatom][1] * b
  - + geometry.cell_atoms[jatom][2] * c
  - + i*a + j*b + k*c;
  + x1 = geometry.cell_atoms[jatom] + i*a + j*b + k*c;
  dx = (x0-x1).norm();
  if (dx - min_distance > shell_width && dx < current_radius)
  {
  @@ -105,9 +100,7 @@ namespace Engine
  else
  jatommin=iatom;
  - x0 = geometry.cell_atoms[iatom][0] * a
  - + geometry.cell_atoms[iatom][1] * b
  - + geometry.cell_atoms[iatom][2] * c;
  + x0 = geometry.cell_atoms[iatom];
  for (ishell = 0; ishell < n_shells; ++ishell)
  {
  radius = shell_radius[ishell];
  @@ -123,10 +116,7 @@ namespace Engine
  (i>0 || (i==0 && j>0) || (i==0 && j==0 && k>0)) ||
  use_redundant_neighbours )
  {
  - x1 = geometry.cell_atoms[jatom][0] * a
  - + geometry.cell_atoms[jatom][1] * b
  - + geometry.cell_atoms[jatom][2] * c
  - + i*a + j*b + k*c;
  + x1 = geometry.cell_atoms[jatom] + i*a + j*b + k*c;
  dx = (x0-x1).norm();
  if (std::abs(dx - radius) < shell_width)
  {
  