Update tests due to new mo_energy ordering
Update tests due to new mo_energy ordering

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