BEGIN_PROVIDER [double precision, ao_ortho_canonical_nucl_elec_integral, (mo_tot_num_align,mo_tot_num)] implicit none integer :: i1,j1,i,j double precision :: c_i1,c_j1 ao_ortho_canonical_nucl_elec_integral = 0.d0 !$OMP PARALLEL DO DEFAULT(none) & !$OMP PRIVATE(i,j,i1,j1,c_j1,c_i1) & !$OMP SHARED(mo_tot_num,ao_num,ao_ortho_canonical_coef, & !$OMP ao_ortho_canonical_nucl_elec_integral, ao_nucl_elec_integral) do i = 1, mo_tot_num do j = 1, mo_tot_num do i1 = 1,ao_num c_i1 = ao_ortho_canonical_coef(i1,i) do j1 = 1,ao_num c_j1 = c_i1*ao_ortho_canonical_coef(j1,j) ao_ortho_canonical_nucl_elec_integral(j,i) = ao_ortho_canonical_nucl_elec_integral(j,i) + & c_j1 * ao_nucl_elec_integral(j1,i1) enddo enddo enddo enddo !$OMP END PARALLEL DO END_PROVIDER