BEGIN_PROVIDER [ double precision, diagonal_Fock_matrix_mo, (mo_tot_num) ] &BEGIN_PROVIDER [ double precision, eigenvectors_Fock_matrix_mo, (ao_num_align,mo_tot_num) ] implicit none BEGIN_DOC ! Diagonal Fock matrix in the MO basis END_DOC double precision, allocatable :: R(:,:) !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: R allocate(R(mo_tot_num_align,mo_tot_num)) call lapack_diag(diagonal_Fock_matrix_mo,R,Fock_matrix_mo,size(Fock_matrix_mo,1),& mo_tot_num) call dgemm('N','N',ao_num,mo_tot_num,mo_tot_num,1.d0,mo_coef,size(mo_coef,1),& R,size(R,1),0.d0,eigenvectors_Fock_matrix_mo,size(eigenvectors_Fock_matrix_mo,1)) deallocate(R) END_PROVIDER