quack/src/CC/form_EOM_one_body.f90

subroutine form_EOM_one_body(nO,nV,foo,fov,fvv,t1,t2,OOOV,OOVV,OVVV,cFoo,cFov,cFvv)

! Form one-body part of the EOM matrix

  implicit none

! Input variables

  integer,intent(in)            :: nO,nV

  double precision,intent(in)   :: foo(nO,nO)
  double precision,intent(in)   :: fov(nO,nV)
  double precision,intent(in)   :: fvv(nV,nV)

  double precision,intent(in)   :: t1(nO,nV)
  double precision,intent(in)   :: t2(nO,nO,nV,nV)

  double precision,intent(in)   :: OOOV(nO,nO,nO,nV)
  double precision,intent(in)   :: OOVV(nO,nO,nV,nV)
  double precision,intent(in)   :: OVVV(nO,nV,nV,nV)

! Local variables

  integer                       :: i,j,k,l
  integer                       :: a,b,c,d
  double precision,allocatable  :: tau(:,:,:,:)

! Output variables

  double precision,intent(out)  :: cFoo(nO,nO)
  double precision,intent(out)  :: cFov(nO,nV)
  double precision,intent(out)  :: cFvv(nV,nV)

  allocate(tau(nO,nO,nV,nV))

  do i=1,nO
    do j=1,nO
      do a=1,nV
        do b=1,nV
          tau(i,j,a,b) = t2(i,j,a,b) + t1(i,a)*t1(j,b) - t1(i,b)*t1(j,a)
        end do
      end do
    end do
  end do

! OV block

  cFov(:,:) = 0d0

! VV block

  cFvv(:,:) = fvv(:,:)

  do a=1,nV
    do b=1,nV

      do i=1,nO
        cFvv(a,b) = cFvv(a,b) - fov(i,b)*t1(i,a)
      end do

      do i=1,nO
        do c=1,nV
          cFvv(a,b) = cFvv(a,b) + t1(i,c)*OVVV(i,a,c,b)
        end do
      end do

      do i=1,nO
        do j=1,nO
          do c=1,nV
            cFvv(a,b) = cFvv(a,b) - 0.5d0*tau(i,j,a,c)*OOVV(i,j,b,c)
          end do
        end do
      end do

    enddo
  enddo

! OO block

  cFoo(:,:) = foo(:,:)

  do i=1,nO
    do j=1,nO

      do a=1,nV
        cFoo(i,j) = cFoo(i,j) + t1(j,a)*fov(i,a)
      end do

      do k=1,nO
        do a=1,nV
          cFoo(i,j) = cFoo(i,j) + t1(k,a)*OVVV(i,k,j,a)
        end do
      end do

      do k=1,nO
        do a=1,nV
          do b=1,nV
            cFoo(i,j) = cFoo(i,j) + 0.5d0*tau(j,k,a,b)*OOVV(i,k,a,b)
          end do
        end do
      end do

    end do
  end do

end subroutine form_EOM_one_body