program cisd implicit none integer :: i,k double precision, allocatable :: pt2(:), norm_pert(:), H_pert_diag(:) integer :: N_st, degree N_det=10000 do i=1,N_det do k=1,N_int psi_det(k,1,i) = psi_det_sorted(k,1,i) psi_det(k,2,i) = psi_det_sorted(k,2,i) enddo psi_coef(k,:) = psi_coef_sorted(k,:) enddo TOUCH psi_det psi_coef psi_det_sorted psi_coef_sorted psi_average_norm_contrib_sorted N_det call save_wavefunction end