subroutine form_r2(gvv,goo,aoooo,bvvvv,hovvo,t1,t2,tau,r2) ! Form tau in CCSD implicit none ! Input variables double precision,intent(in) :: gvv(spin_vir_num,spin_vir_num) double precision,intent(in) :: goo(spin_occ_num,spin_occ_num) double precision,intent(in) :: aoooo(spin_occ_num,spin_occ_num,spin_occ_num,spin_occ_num) double precision,intent(in) :: bvvvv(spin_vir_num,spin_vir_num,spin_vir_num,spin_vir_num) double precision,intent(in) :: hovvo(spin_occ_num,spin_vir_num,spin_vir_num,spin_occ_num) double precision,intent(in) :: t1(spin_occ_num,spin_vir_num) double precision,intent(in) :: t2(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) double precision,intent(in) :: tau(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) ! Local variables integer :: i,j,k,l integer :: a,b,c,d ! Output variables double precision,intent(out) :: r2(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) r2(:,:,:,:) = OOVV(:,:,:,:) !$OMP PARALLEL DO DEFAULT(NONE) & !$OMP SHARED(spin_occ_num,spin_vir_num,r2,aoooo,bvvvv,gvv,goo,tau,OVOO,OVVV,t1,t2,hovvo,OVVO) & !$OMP PRIVATE(i,j,a,b,k,l,c,d) do b=1,spin_vir_num do a=1,spin_vir_num do j=1,spin_occ_num do i=1,spin_occ_num do k=1,spin_occ_num do l=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + aoooo(i,j,k,l)*tau(k,l,a,b) end do end do do d=1,spin_vir_num do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) + bvvvv(c,d,a,b)*tau(i,j,c,d) end do end do do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) + gvv(c,a)*t2(i,j,c,b) end do do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + OVOO(k,a,i,j)*t1(k,b) end do do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) - gvv(c,b)*t2(i,j,c,a) end do do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) - OVOO(k,b,i,j)*t1(k,a) end do do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) - goo(i,k)*t2(k,j,a,b) end do do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) + OVVV(j,c,b,a)*t1(i,c) end do do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + goo(j,k)*t2(k,i,a,b) end do do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) - OVVV(i,c,b,a)*t1(j,c) end do do k=1,spin_occ_num do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) + hovvo(i,c,a,k)*t2(j,k,b,c) end do end do do k=1,spin_occ_num do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) - OVVO(i,c,a,k)*t1(j,c)*t1(k,b) end do end do do k=1,spin_occ_num do c=1,spin_vir_num r2(i,j,a,b) = r2(i,j,a,b) - hovvo(j,c,a,k)*t2(i,k,b,c) end do end do do c=1,spin_vir_num do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + OVVO(j,c,a,k)*t1(i,c)*t1(k,b) end do end do do c=1,spin_vir_num do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) - hovvo(i,c,b,k)*t2(j,k,a,c) end do end do do c=1,spin_vir_num do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + OVVO(i,c,b,k)*t1(j,c)*t1(k,a) end do end do do c=1,spin_vir_num do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) + hovvo(j,c,b,k)*t2(i,k,a,c) end do end do do c=1,spin_vir_num do k=1,spin_occ_num r2(i,j,a,b) = r2(i,j,a,b) - OVVO(j,c,b,k)*t1(i,c)*t1(k,a) end do end do end do end do end do end do !$OMP END PARALLEL DO end subroutine form_r2