subroutine form_r1_nc(nO,nV,t1,t2,delta_ov,Fov,cFoo,cFov,cFvv,OOVO,OVOV,OVVV,r1) ! Form residues for t1 in non-canonical CCSD implicit none ! Input variables integer,intent(in) :: nO,nV double precision,intent(in) :: t1(nO,nV) double precision,intent(in) :: t2(nO,nO,nV,nV) double precision,intent(in) :: delta_ov(nO,nV) double precision,intent(in) :: Fov(nO,nV) double precision,intent(in) :: cFoo(nO,nO) double precision,intent(in) :: cFov(nO,nV) double precision,intent(in) :: cFvv(nV,nV) double precision,intent(in) :: OOVO(nO,nO,nV,nO) double precision,intent(in) :: OVOV(nO,nV,nO,nV) double precision,intent(in) :: OVVV(nO,nV,nV,nV) ! Local variables integer :: i,j,m,n integer :: a,b,e,f ! Output variables double precision,intent(out) :: r1(nO,nV) r1(:,:) = Fov(:,:) do i=1,nO do a=1,nV do e=1,nV r1(i,a) = r1(i,a) + t1(i,e)*cFvv(a,e) end do do m=1,nO r1(i,a) = r1(i,a) - t1(m,a)*cFoo(m,i) end do do m=1,nO do e=1,nV r1(i,a) = r1(i,a) + t2(i,m,a,e)*cFov(m,e) end do end do do n=1,nO do f=1,nV r1(i,a) = r1(i,a) - t1(n,f)*OVOV(n,a,i,f) end do end do do m=1,nO do e=1,nV do f=1,nV r1(i,a) = r1(i,a) - 0.5d0*t2(i,m,e,f)*OVVV(m,a,e,f) end do end do end do do m=1,nO do n=1,nO do e=1,nV r1(i,a) = r1(i,a) - 0.5d0*t2(m,n,a,e)*OOVO(n,m,e,i) end do end do end do end do end do ! Final expression for t1 residue r1(:,:) = delta_ov(:,:)*t1(:,:) - r1(:,:) end subroutine form_r1_nc