program scf call orthonormalize_mos call run end subroutine run use bitmasks implicit none double precision :: SCF_energy_before,SCF_energy_after,diag_H_mat_elem,get_mo_bielec_integral double precision :: E0 integer :: i_it, i, j, k E0 = HF_energy thresh_SCF = 1.d-10 call damping_SCF mo_label = "Canonical" TOUCH mo_label mo_coef call save_mos end