2019-09-14 14:20:55 +02:00
|
|
|
subroutine form_tau_nc(tau)
|
2019-09-11 17:09:30 +02:00
|
|
|
|
|
|
|
|
! Form tau in CCSD
|
|
|
|
|
|
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
|
|
! Local variables
|
|
|
|
|
|
|
|
|
|
integer :: i,j,k,l
|
|
|
|
|
integer :: a,b,c,d
|
|
|
|
|
|
|
|
|
|
! Output variables
|
|
|
|
|
|
2019-09-14 14:15:25 +02:00
|
|
|
double precision,intent(out) :: tau(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num)
|
2019-09-11 17:09:30 +02:00
|
|
|
|
2019-09-14 14:15:25 +02:00
|
|
|
do b=1,spin_vir_num
|
|
|
|
|
do a=1,spin_vir_num
|
|
|
|
|
do j=1,spin_occ_num
|
|
|
|
|
do i=1,spin_occ_num
|
2019-09-11 17:09:30 +02:00
|
|
|
|
2019-09-14 14:20:55 +02:00
|
|
|
tau(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)
|
2019-09-11 17:09:30 +02:00
|
|
|
|
|
|
|
|
enddo
|
|
|
|
|
enddo
|
|
|
|
|
enddo
|
|
|
|
|
enddo
|
|
|
|
|
|
|
|
|
|
end subroutine form_tau_nc
|
