BEGIN_PROVIDER [ character*(64), diag_algorithm ]
  implicit none
  BEGIN_DOC
  ! Diagonalization algorithm (Davidson or Lapack)
  END_DOC
  if (N_det > N_det_max_jacobi) then
    diag_algorithm = "Davidson"
  else
    diag_algorithm = "Lapack"
  endif

  if (N_det < N_states_diag) then
    diag_algorithm = "Lapack"
  endif
  
END_PROVIDER

BEGIN_PROVIDER [ double precision, CI_energy, (N_states_diag) ]
  implicit none
  BEGIN_DOC
  ! N_states lowest eigenvalues of the CI matrix
  END_DOC
  
  integer                        :: j
  character*(8)                  :: st
  call write_time(output_determinants)
  do j=1,N_states_diag
    CI_energy(j) = CI_electronic_energy(j) + nuclear_repulsion
    write(st,'(I4)') j
    call write_double(output_determinants,CI_energy(j),'Energy of state '//trim(st))
    call write_double(output_determinants,CI_eigenvectors_s2(j),'S^2 of state '//trim(st))
  enddo

END_PROVIDER

 BEGIN_PROVIDER [ double precision, CI_electronic_energy, (N_states_diag) ]
&BEGIN_PROVIDER [ double precision, CI_eigenvectors, (N_det,N_states_diag) ]
&BEGIN_PROVIDER [ double precision, CI_eigenvectors_s2, (N_states_diag) ]
  implicit none
  BEGIN_DOC
  ! Eigenvectors/values of the CI matrix
  END_DOC
  integer                        :: i,j
  
  do j=1,N_states_diag
    do i=1,N_det
      CI_eigenvectors(i,j) = psi_coef(i,j)
    enddo
  enddo
  
  if (diag_algorithm == "Davidson") then
    
    call davidson_diag(psi_det,CI_eigenvectors,CI_electronic_energy, &
        size(CI_eigenvectors,1),N_det,N_states_diag,N_int,output_determinants)
    do j=1,N_states_diag
      call get_s2_u0(psi_det,CI_eigenvectors(1,j),N_det,size(CI_eigenvectors,1),CI_eigenvectors_s2(j))
    enddo

    
  else if (diag_algorithm == "Lapack") then
    
    double precision, allocatable  :: eigenvectors(:,:), eigenvalues(:)
    allocate (eigenvectors(size(H_matrix_all_dets,1),N_det))
    allocate (eigenvalues(N_det))
    call lapack_diag(eigenvalues,eigenvectors,                       &
        H_matrix_all_dets,size(H_matrix_all_dets,1),N_det)
    CI_electronic_energy(:) = 0.d0
    do i=1,N_det
       CI_eigenvectors(i,1) = eigenvectors(i,1)
    enddo
    integer :: i_state
    double precision :: s2
    if (s2_eig) then
      i_state = 0
      do j=1,N_det
        call get_s2_u0(psi_det,eigenvectors(1,j),N_det,size(eigenvectors,1),s2)
        print*,'s2 = ',s2
        if(dabs(s2-expected_s2).le.0.3d0)then
        i_state += 1
        do i=1,N_det
          CI_eigenvectors(i,i_state) = eigenvectors(i,j)
        enddo
        CI_electronic_energy(i_state) = eigenvalues(j)
        CI_eigenvectors_s2(i_state) = s2
        endif
        if (i_state.ge.N_states_diag) then
          exit
        endif
      enddo
    else
      do j=1,N_states_diag
        call get_s2_u0(psi_det,eigenvectors(1,j),N_det,N_det,s2)
        do i=1,N_det
          CI_eigenvectors(i,j) = eigenvectors(i,j)
        enddo
        CI_electronic_energy(j) = eigenvalues(j)
        CI_eigenvectors_s2(j) = s2
      enddo
    endif
    deallocate(eigenvectors,eigenvalues)
  endif
  
END_PROVIDER

subroutine diagonalize_CI
  implicit none
  BEGIN_DOC
!  Replace the coefficients of the CI states by the coefficients of the 
!  eigenstates of the CI matrix
  END_DOC
  integer :: i,j
  do j=1,N_states_diag
    do i=1,N_det
      psi_coef(i,j) = CI_eigenvectors(i,j)
    enddo
  enddo
  SOFT_TOUCH psi_coef CI_electronic_energy CI_energy CI_eigenvectors CI_eigenvectors_s2
end