subroutine form_r1(nC,nO,nV,nR,OVVO,OVVV,OOOV,hvv,hoo,hvo,t1,t2,tau,r1) ! Form tau in CCSD implicit none ! Input variables integer,intent(in) :: nC,nO,nV,nR double precision,intent(in) :: OVVO(nO,nV,nV,nO) double precision,intent(in) :: OVVV(nO,nV,nV,nV) double precision,intent(in) :: OOOV(nO,nO,nO,nV) double precision,intent(in) :: hvv(nV,nV) double precision,intent(in) :: hoo(nO,nO) double precision,intent(in) :: hvo(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) :: r1(nO,nV) r1(:,:) = 0d0 do i=nC+1,nO do a=1,nV-nR do b=1,nV-nR r1(i,a) = r1(i,a) + hvv(b,a)*t1(i,b) end do do j=nC+1,nO r1(i,a) = r1(i,a) - hoo(i,j)*t1(j,a) end do do j=nC+1,nO do b=1,nV-nR r1(i,a) = r1(i,a) + hvo(b,j)*(t2(i,j,a,b) + t1(i,b)*t1(j,a)) end do end do do j=nC+1,nO do b=1,nV-nR r1(i,a) = r1(i,a) + OVVO(i,b,a,j)*t1(j,b) end do end do do j=nC+1,nO do b=1,nV-nR do c=1,nV-nR r1(i,a) = r1(i,a) - OVVV(j,a,b,c)*tau(i,j,b,c) end do end do end do do j=nC+1,nO do k=nC+1,nO do b=1,nV-nR r1(i,a) = r1(i,a) - OOOV(j,k,i,b)*tau(j,k,a,b) end do end do end do end do end do end subroutine