Bugfix for pbc super_cell function.  atoms was missing on the super cell boundary.
Bugfix for pbc super_cell function.  atoms was missing on the super cell boundary.

gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf