BEGIN_PROVIDER [double precision, mo_pseudo_integral, (mo_tot_num,mo_tot_num)] implicit none BEGIN_DOC ! interaction nuclear electron on the MO basis END_DOC if (read_mo_one_integrals) then call read_one_e_integrals('mo_pseudo_integral', mo_pseudo_integral,& size(mo_pseudo_integral,1), size(mo_pseudo_integral,2)) print *, 'MO pseudopotential integrals read from disk' else call ao_to_mo( & ao_pseudo_integral, & size(ao_pseudo_integral,1), & mo_pseudo_integral, & size(mo_pseudo_integral,1) & ) endif if (write_mo_one_integrals) then call write_one_e_integrals('mo_pseudo_integral', mo_pseudo_integral,& size(mo_pseudo_integral,1), size(mo_pseudo_integral,2)) print *, 'MO pseudopotential integrals written to disk' endif END_PROVIDER