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qp_plugins_scemama/devel/cc/form_tau_nc.irp.f
2019-09-14 14:32:41 +02:00

22 lines
445 B
Fortran

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