.. _sort_by_fock_energies: .. program:: sort_by_fock_energies ===================== sort_by_fock_energies ===================== Program that saves the current |MOs| ordered by diagonal element of the Fock operator. Warning : the Fock operator, and therefore its matrix elements, depends on the occupancy. Needs: .. hlist:: :columns: 3 * :c:data:`ao_num` * :c:data:`fock_matrix_mo` * :c:data:`mo_coef` * :c:data:`mo_num` Calls: .. hlist:: :columns: 3 * :c:func:`dsort` * :c:func:`save_mos` Touches: .. hlist:: :columns: 3 * :c:data:`mo_coef`