subroutine hcore_guess BEGIN_DOC ! Produce `H_core` MO orbital END_DOC implicit none character*(64) :: label label = "Guess" if (is_complex) then call mo_as_eigvectors_of_mo_matrix_complex(mo_one_e_integrals_complex, & size(mo_one_e_integrals_complex,1), & size(mo_one_e_integrals_complex,2),label,1,.false.) call save_mos SOFT_TOUCH mo_coef_complex mo_label else call mo_as_eigvectors_of_mo_matrix(mo_one_e_integrals, & size(mo_one_e_integrals,1), & size(mo_one_e_integrals,2),label,1,.false.) call save_mos SOFT_TOUCH mo_coef mo_label endif end