BEGIN_PROVIDER [ integer, spin_mo_num ] implicit none BEGIN_DOC ! Number of spin-orbitals END_DOC spin_mo_num = mo_num * 2 END_PROVIDER BEGIN_PROVIDER [ integer, spin_occ_num ] &BEGIN_PROVIDER [ integer, spin_vir_num ] implicit none BEGIN_DOC ! Number of occupied/virtual spin-orbitals END_DOC spin_occ_num = elec_num spin_vir_num = spin_mo_num - spin_occ_num END_PROVIDER