BEGIN_PROVIDER [double precision, mo_dipole_x , (mo_num,mo_num)] &BEGIN_PROVIDER [double precision, mo_dipole_y , (mo_num,mo_num)] &BEGIN_PROVIDER [double precision, mo_dipole_z , (mo_num,mo_num)] BEGIN_DOC ! array of the integrals of MO_i * x MO_j ! array of the integrals of MO_i * y MO_j ! array of the integrals of MO_i * z MO_j END_DOC implicit none call ao_to_mo( & ao_dipole_x, & size(ao_dipole_x,1), & mo_dipole_x, & size(mo_dipole_x,1) & ) call ao_to_mo( & ao_dipole_y, & size(ao_dipole_y,1), & mo_dipole_y, & size(mo_dipole_y,1) & ) call ao_to_mo( & ao_dipole_z, & size(ao_dipole_z,1), & mo_dipole_z, & size(mo_dipole_z,1) & ) END_PROVIDER BEGIN_PROVIDER [double precision, mo_spread_x , (mo_num,mo_num)] &BEGIN_PROVIDER [double precision, mo_spread_y , (mo_num,mo_num)] &BEGIN_PROVIDER [double precision, mo_spread_z , (mo_num,mo_num)] BEGIN_DOC ! array of the integrals of MO_i * x^2 MO_j ! array of the integrals of MO_i * y^2 MO_j ! array of the integrals of MO_i * z^2 MO_j END_DOC implicit none call ao_to_mo( & ao_spread_x, & size(ao_spread_x,1), & mo_spread_x, & size(mo_spread_x,1) & ) call ao_to_mo( & ao_spread_y, & size(ao_spread_y,1), & mo_spread_y, & size(mo_spread_y,1) & ) call ao_to_mo( & ao_spread_z, & size(ao_spread_z,1), & mo_spread_z, & size(mo_spread_z,1) & ) END_PROVIDER