subroutine form_r2(nC,nO,nV,nR,OOVV,OVOO,OVVV,OVVO,gvv,goo,aoooo,bvvvv,hovvo,t1,t2,tau,r2) ! Form tau in CCSD implicit none ! Input variables integer,intent(in) :: nC,nO,nV,nR double precision,intent(in) :: OOVV(nO,nO,nV,nV) double precision,intent(in) :: OVOO(nO,nV,nO,nO) double precision,intent(in) :: OVVV(nO,nV,nV,nV) double precision,intent(in) :: OVVO(nO,nV,nV,nO) double precision,intent(in) :: gvv(nV,nV) double precision,intent(in) :: goo(nO,nO) double precision,intent(in) :: aoooo(nO,nO,nO,nO) double precision,intent(in) :: bvvvv(nV,nV,nV,nV) double precision,intent(in) :: hovvo(nO,nV,nV,nO) double precision,intent(in) :: t1(nO,nV) double precision,intent(in) :: t2(nO,nO,nV,nV) double precision,intent(in) :: tau(nO,nO,nV,nV) ! Local variables integer :: i,j,k,l integer :: a,b,c,d ! Output variables double precision,intent(out) :: r2(nO,nO,nV,nV) r2(:,:,:,:) = OOVV(:,:,:,:) do i=nC+1,nO do j=nC+1,nO do a=1,nV-nR do b=1,nV-nR do k=nC+1,nO do l=nC+1,nO 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 c=1,nV-nR do d=1,nV-NR 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,nV-nR r2(i,j,a,b) = r2(i,j,a,b) + gvv(c,a)*t2(i,j,c,b) end do do k=nC+1,nO r2(i,j,a,b) = r2(i,j,a,b) + OVOO(k,a,i,j)*t1(k,b) end do do c=1,nV-NR r2(i,j,a,b) = r2(i,j,a,b) - gvv(c,b)*t2(i,j,c,a) end do do k=nC+1,nO r2(i,j,a,b) = r2(i,j,a,b) - OVOO(k,b,i,j)*t1(k,a) end do do k=nC+1,nO r2(i,j,a,b) = r2(i,j,a,b) - goo(i,k)*t2(k,j,a,b) end do do c=1,nV-nR r2(i,j,a,b) = r2(i,j,a,b) + OVVV(j,c,b,a)*t1(i,c) end do do k=nC+1,nO r2(i,j,a,b) = r2(i,j,a,b) + goo(j,k)*t2(k,i,a,b) end do do c=1,nV-nR r2(i,j,a,b) = r2(i,j,a,b) - OVVV(i,c,b,a)*t1(j,c) end do do k=nC+1,nO do c=1,nV-nR 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=nC+1,nO do c=1,nV-nR 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=nC+1,nO do c=1,nV-nR 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 k=nC+1,nO do c=1,nV-nR 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 k=nC+1,nO do c=1,nV-nR 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 k=nC+1,nO do c=1,nV-nR 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 k=nC+1,nO do c=1,nV-nR 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 k=nC+1,nO do c=1,nV-nR 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 end subroutine