subroutine hcore_guess BEGIN_DOC ! Produce `H_core` MO orbital END_DOC implicit none character*(64) :: label label = "Guess" call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral, & size(mo_mono_elec_integral,1), & size(mo_mono_elec_integral,2),label,1) print *, 'save mos' call save_mos SOFT_TOUCH mo_coef mo_label end