BEGIN_PROVIDER [ double precision, tau_cc, (spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) ] implicit none BEGIN_DOC ! Tau in CCSD END_DOC integer :: i,j,a,b do b=1,spin_vir_num do a=1,spin_vir_num do j=1,spin_occ_num do i=1,spin_occ_num tau_cc(i,j,a,b) = t2_cc(i,j,a,b) + t1_cc(i,a)*t1_cc(j,b) - t1_cc(i,b)*t1_cc(j,a) enddo enddo enddo enddo END_PROVIDER