BEGIN_PROVIDER [ double precision, ao_mono_elec_integral,(ao_num_align,ao_num)] &BEGIN_PROVIDER [ double precision, ao_mono_elec_integral_diag,(ao_num)] implicit none integer :: i,j,n,l BEGIN_DOC ! array of the mono electronic hamiltonian on the AOs basis ! : sum of the kinetic and nuclear electronic potential END_DOC do j = 1, ao_num !DIR$ VECTOR ALIGNED do i = 1, ao_num ao_mono_elec_integral(i,j) = ao_nucl_elec_integral(i,j) + ao_kinetic_integral(i,j) + ao_pseudo_integral(i,j) enddo ao_mono_elec_integral_diag(j) = ao_mono_elec_integral(j,j) enddo END_PROVIDER