quantum_package/plugins/mrcepa0/mrcc_stoch_routines.irp.f

BEGIN_PROVIDER [ integer, fragment_first ]
  implicit none
  fragment_first = first_det_of_teeth(1)
END_PROVIDER


BEGIN_PROVIDER [ integer, mrcc_stoch_istate ]
 implicit none
 BEGIN_DOC
 ! State considered
 END_DOC
 mrcc_stoch_istate = 1
END_PROVIDER

subroutine ZMQ_mrcc(E, mrcc, delta, delta_s2, relative_error)
  !use dress_types
  use f77_zmq
  
  implicit none
  
  character(len=64000)           :: task

  integer(ZMQ_PTR)               :: zmq_to_qp_run_socket, zmq_socket_pull
  integer, external              :: omp_get_thread_num
  double precision, intent(in)   :: relative_error, E(N_states)
  double precision, intent(out)  :: mrcc(N_states)
  double precision, intent(out)  :: delta(N_states, N_det_non_ref)
  double precision, intent(out)  :: delta_s2(N_states, N_det_non_ref)
  
  
  integer                        :: i, j, k, Ncp
  
  double precision, external     :: omp_get_wtime
  double precision               :: time
  integer, external :: add_task_to_taskserver

  state_average_weight(:) = 0.d0
  state_average_weight(mrcc_stoch_istate) = 1.d0
  TOUCH state_average_weight 
  

  provide nproc fragment_first fragment_count mo_bielec_integrals_in_map mo_mono_elec_integral mrcc_weight psi_selectors

  
  
  call write_double(6,relative_error,"Target relative error")
  print *, '========== ================= ================= ================='
  print *, ' Samples        Energy         Stat. Error         Seconds      '
  print *, '========== ================= ================= ================='
  

  call new_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull, 'mrcc')
  
  integer, external              :: zmq_put_psi
  integer, external              :: zmq_put_N_det_generators
  integer, external              :: zmq_put_N_det_selectors
  integer, external              :: zmq_put_dvector
  integer, external              :: zmq_set_running 
  if (zmq_put_psi(zmq_to_qp_run_socket,1) == -1) then
    stop 'Unable to put psi on ZMQ server'
  endif
  if (zmq_put_N_det_generators(zmq_to_qp_run_socket, 1) == -1) then
    stop 'Unable to put N_det_generators on ZMQ server'
  endif
  if (zmq_put_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) then
    stop 'Unable to put N_det_selectors on ZMQ server'
  endif
  if (zmq_put_dvector(zmq_to_qp_run_socket,1,'energy',mrcc_e0_denominator,size(mrcc_e0_denominator)) == -1) then
    stop 'Unable to put energy on ZMQ server'
  endif

!  do i=1,comb_teeth
!    print *, "TOOTH", first_det_of_teeth(i+1) - first_det_of_teeth(i)
!  end do

  integer(ZMQ_PTR), external     :: new_zmq_to_qp_run_socket
  integer                        :: ipos
  ipos=1
  do i=1,N_mrcc_jobs
    if(mrcc_jobs(i) > fragment_first) then
      write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') 0, mrcc_jobs(i)
      ipos += 20
      if (ipos > 63980) then
        if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
          stop 'Unable to add task to task server'
        endif

        ipos=1
      endif
    else
      do j=1,fragment_count
        write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, mrcc_jobs(i)
        ipos += 20
        if (ipos > 63980) then
          if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
            stop 'Unable to add task to task server'
          endif
          ipos=1
        endif
      end do
    end if
  end do
  if (ipos > 1) then
        if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
          stop 'Unable to add task to task server'
        endif
  endif
      if (zmq_set_running(zmq_to_qp_run_socket) == -1) then
        print *,  irp_here, ': Failed in zmq_set_running'
      endif

  !$OMP PARALLEL DEFAULT(shared) NUM_THREADS(nproc+1)                &
      !$OMP  PRIVATE(i)
  i = omp_get_thread_num()
  if (i==0) then
    call mrcc_collector(zmq_socket_pull,E, relative_error, delta, delta_s2, mrcc)
  else
    call mrcc_slave_inproc(i)
  endif
  !$OMP END PARALLEL
  call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'mrcc')
  
  print *, '========== ================= ================= ================='
end subroutine


subroutine mrcc_slave_inproc(i)
  implicit none
  integer, intent(in)            :: i

  call run_mrcc_slave(1,i,mrcc_e0_denominator)
end



subroutine mrcc_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, mrcc)

  use dress_types
  use f77_zmq
  use bitmasks
  implicit none

  

  integer(ZMQ_PTR), intent(in)   :: zmq_socket_pull

  double precision, intent(in) :: relative_error, E(N_states)
  double precision, intent(out)  :: mrcc(N_states)
  double precision, allocatable  :: cp(:,:,:,:)

  double precision, intent(out)  :: delta(N_states, N_det_non_ref)
  double precision, intent(out)  :: delta_s2(N_states, N_det_non_ref)
  double precision, allocatable  :: delta_loc(:,:,:,:), delta_det(:,:,:,:)
  double precision, allocatable  :: mrcc_detail(:,:)
  integer(ZMQ_PTR),external      :: new_zmq_to_qp_run_socket
  integer(ZMQ_PTR)               :: zmq_to_qp_run_socket

  integer(ZMQ_PTR), external     :: new_zmq_pull_socket

  integer :: more
  integer :: i, j, k, i_state, N, ntask
  integer, allocatable :: task_id(:)
  integer :: Nindex
  integer :: ind
  double precision :: time, time0, timeInit, old_tooth
  double precision, external :: omp_get_wtime
  integer :: cur_cp, old_cur_cp
  integer, allocatable :: parts_to_get(:)
  logical, allocatable :: actually_computed(:)
  integer :: total_computed
  integer, parameter :: delta_loc_N = 4
  integer :: delta_loc_slot, delta_loc_i(delta_loc_N)
  double precision               :: mrcc_mwen(N_states, delta_loc_N), lcoef(delta_loc_N)
  logical :: ok
  double precision :: usf, num
  integer(8), save :: rezo = 0_8

  usf = 0d0
  num = 0d0

  delta = 0d0
  delta_s2 = 0d0
  allocate(delta_det(N_states, N_det_non_ref, 0:comb_teeth+1, 2))
  allocate(cp(N_states, N_det_non_ref, N_cp, 2), mrcc_detail(N_states, N_det_generators))
  allocate(delta_loc(N_states, N_det_non_ref, 2, delta_loc_N))
  mrcc_detail = 0d0
  delta_det = 0d0
  cp = 0d0
  total_computed = 0
  character*(512) :: task
  
  allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators))
    
  mrcc_mwen =0.d0
  
  parts_to_get(:) = 1
  if(fragment_first > 0) then
    do i=1,fragment_first
      parts_to_get(i) = fragment_count
    enddo
  endif

  actually_computed = .false.

  zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
  allocate(task_id(N_det_generators))
  more = 1
  time = omp_get_wtime()
  time0 = time
  timeInit = time
  cur_cp = 0
  old_cur_cp = 0
  delta_loc_slot = 1
  delta_loc_i = 0
  pullLoop : do while (more == 1)
    call pull_mrcc_results(zmq_socket_pull, Nindex, ind, mrcc_mwen(1, delta_loc_slot), delta_loc(1,1,1,delta_loc_slot), task_id, ntask)
    if(Nindex /= 1) stop "tried pull multiple Nindex"
    delta_loc_i(delta_loc_slot) = ind

    integer, external :: zmq_delete_tasks
    if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,ntask,more) == -1) then
        stop 'Unable to delete tasks'
    endif
    
    time = omp_get_wtime()
    if(more /= 1 .or. delta_loc_slot == delta_loc_N) then
      time0 = time
      do i=1,delta_loc_N
        if(delta_loc_i(i) /= 0) then
          mrcc_detail(:, delta_loc_i(i)) += mrcc_mwen(:,i)  
        end if
      end do

      do j=1,N_cp !! optimizable
        ok = .false.
        do i=1,delta_loc_N
          if(delta_loc_i(i) == 0) then
            lcoef(i) = 0d0
          else
            lcoef(i) = cps(delta_loc_i(i), j) / cps_N(j) * mrcc_weight_inv(delta_loc_i(i)) * comb_step
            if(lcoef(i) /= 0d0) then
              ok = .true.
            end if
          end if
        end do
        if(.not. ok) cycle
            double precision :: fac
            integer :: toothMwen
            logical :: fracted, toothMwendid(0:10000)
            do k=1,N_det_non_ref
            do i_state=1,N_states
              cp(i_state,k,j,1) += delta_loc(i_state,k,1,1) * lcoef(1) + &
                 delta_loc(i_state,k,1,2) * lcoef(2) + &
                 delta_loc(i_state,k,1,3) * lcoef(3) + &
                 delta_loc(i_state,k,1,4) * lcoef(4)  
            end do
            end do
            
            do k=1,N_det_non_ref
            do i_state=1,N_states
              cp(i_state,k,j,2) += delta_loc(i_state,k,2,1) * lcoef(1) + &
                  delta_loc(i_state,k,2,2) * lcoef(2) + &
                  delta_loc(i_state,k,2,3) * lcoef(3) + &
                  delta_loc(i_state,k,2,4) * lcoef(4) 
            end do
            end do

      end do

      do i=1,delta_loc_N
        ind = delta_loc_i(i)
        if(ind == 0) cycle
        toothMwen = tooth_of_det(ind)
        
        fracted = (toothMwen /= 0)
        if(fracted) fracted = (ind == first_det_of_teeth(toothMwen))
      
        if(fracted) then
          delta_det(:,:,toothMwen-1, 1) += delta_loc(:,:,1,i) * (1d0-fractage(toothMwen))
          delta_det(:,:,toothMwen-1, 2) += delta_loc(:,:,2,i) * (1d0-fractage(toothMwen))
          delta_det(:,:,toothMwen, 1) += delta_loc(:,:,1,i) * (fractage(toothMwen))
          delta_det(:,:,toothMwen, 2) += delta_loc(:,:,2,i) * (fractage(toothMwen))
        else
          delta_det(:,:,toothMwen, 1) += delta_loc(:,:,1,i)
          delta_det(:,:,toothMwen, 2) += delta_loc(:,:,2,i)
        end if
        parts_to_get(ind) -= 1
        if(parts_to_get(ind) == 0) then
          actually_computed(ind) = .true.
          total_computed += 1
        end if
      end do
      
      delta_loc_slot = 1
      delta_loc_i = 0


    !if(time - time0 > 10d0 .or. more /= 1) then
      cur_cp = N_cp
      !if(.not. actually_computed(mrcc_jobs(1))) cycle pullLoop

      do i=1,N_det_generators
        if(.not. actually_computed(mrcc_jobs(i))) then
          if(i==1) then
            cur_cp = 0
          else
            cur_cp = done_cp_at(i-1)
          end if
          exit
        end if
      end do
      if(cur_cp == 0) then
        cycle pullLoop
      end if
      !!!!!!!!!!!!
      double precision :: su, su2, eqt, avg, E0, val
      integer, external :: zmq_abort

      su = 0d0
      su2 = 0d0
      
      do i=1, int(cps_N(cur_cp))
        call get_comb_val(comb(i), mrcc_detail, cur_cp, val)
        su += val
        su2 += val**2 
      end do
      avg = su / cps_N(cur_cp)
      eqt = dsqrt( ((su2 / cps_N(cur_cp)) - avg**2) / cps_N(cur_cp) )
      E0 = sum(mrcc_detail(1, :first_det_of_teeth(cp_first_tooth(cur_cp))-1))
      if(cp_first_tooth(cur_cp) <= comb_teeth) then
        E0 = E0 + mrcc_detail(1, first_det_of_teeth(cp_first_tooth(cur_cp))) * (1d0-fractage(cp_first_tooth(cur_cp)))
      end if

      if(cur_cp /= old_cur_cp) then
        old_cur_cp = cur_cp
        print '(I5,F15.7,E12.4,F10.2)', cur_cp, E(mrcc_stoch_istate)+E0+avg, eqt, time-timeInit
      end if
      
      if (( (dabs(eqt/(E(mrcc_stoch_istate)+E0+avg)) < relative_error) .and. (cps_N(cur_cp) >= 10) )  .or. total_computed == N_det_generators) then
        if (zmq_abort(zmq_to_qp_run_socket) == -1) then
          call sleep(1)
          if (zmq_abort(zmq_to_qp_run_socket) == -1) then
            print *, irp_here, ': Error in sending abort signal (2)'
          endif
        endif
      endif
    else
      delta_loc_slot += 1
    end if
  end do pullLoop
 
  if(total_computed == N_det_generators) then
    delta = 0d0
    delta_s2 = 0d0
    do i=comb_teeth+1,0,-1
      delta += delta_det(:,:,i,1)
      delta_s2 += delta_det(:,:,i,2)
    end do
  else
    delta = cp(:,:,cur_cp,1)
    delta_s2 = cp(:,:,cur_cp,2)
    do i=cp_first_tooth(cur_cp)-1,0,-1
      delta += delta_det(:,:,i,1)
      delta_s2 += delta_det(:,:,i,2)
    end do
  end if
  mrcc = E
  call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
end subroutine


integer function mrcc_find(v, w, sze, imin, imax)
  implicit none
  integer, intent(in) :: sze, imin, imax
  double precision, intent(in) :: v, w(sze)
  integer :: i,l,h
  integer, parameter :: block=64

  l = imin
  h = imax-1

  do while(h-l >= block)
    i = ishft(h+l,-1)
    if(w(i+1) > v) then
      h = i-1
    else
      l = i+1
    end if
  end do
  !DIR$ LOOP COUNT (64)
  do mrcc_find=l,h
    if(w(mrcc_find) >= v) then
      exit
    end if
  end do
end function


 BEGIN_PROVIDER [ integer, gen_per_cp ]
&BEGIN_PROVIDER [ integer, comb_teeth ]
&BEGIN_PROVIDER [ integer, N_cps_max ]
  implicit none
  integer :: comb_per_cp
  comb_teeth = 16
  N_cps_max = 64
!  comb_per_cp = 64
  gen_per_cp = (N_det_generators / N_cps_max) + 1
!  N_cps_max += 1
  N_cps_max = N_det_generators / gen_per_cp + 1
END_PROVIDER


 BEGIN_PROVIDER [ integer, N_cp ]
&BEGIN_PROVIDER [ double precision, cps_N, (N_cps_max) ]
&BEGIN_PROVIDER [ integer, cp_first_tooth, (N_cps_max) ]
&BEGIN_PROVIDER [ integer, done_cp_at, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, cps, (N_det_generators, N_cps_max) ]
&BEGIN_PROVIDER [ integer, N_mrcc_jobs ]
&BEGIN_PROVIDER [ integer, mrcc_jobs, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, comb, (N_det_generators) ]
! subroutine get_carlo_workbatch(Ncp, tbc, cps, done_cp_at)
  implicit none
  logical, allocatable         :: computed(:)
  integer                        :: i, j, last_full, dets(comb_teeth)
  integer                        :: k, l, cur_cp, under_det(comb_teeth+1)
  integer, allocatable :: iorder(:), first_cp(:)
  double precision :: tmp


  allocate(iorder(N_det_generators), first_cp(N_cps_max+1))
  allocate(computed(N_det_generators))
  first_cp = 1
  cps = 0d0
  cur_cp = 1
  done_cp_at = 0
  
  computed = .false.
  
  N_mrcc_jobs = first_det_of_comb - 1
  do i=1, N_mrcc_jobs
    mrcc_jobs(i) = i
    computed(i) = .true.
  end do
  
  l=first_det_of_comb
  call RANDOM_NUMBER(comb)
  do i=1,N_det_generators
    comb(i) = comb(i) * comb_step
    !DIR$ FORCEINLINE
    call add_comb(comb(i), computed, cps(1, cur_cp), N_mrcc_jobs, mrcc_jobs)
    
    if(N_mrcc_jobs / gen_per_cp > (cur_cp-1) .or. N_mrcc_jobs == N_det_generators) then
    !if(mod(i, comb_per_cp) == 0 .or. N_mrcc_jobs == N_det_generators) then
      first_cp(cur_cp+1) = N_mrcc_jobs
      done_cp_at(N_mrcc_jobs) = cur_cp
      cps_N(cur_cp) = dfloat(i)
      if(N_mrcc_jobs /= N_det_generators) then
        cps(:, cur_cp+1) = cps(:,  cur_cp)
        cur_cp += 1
      end if
      !cps(:, cur_cp) = cps(:, cur_cp) / dfloat(i)
      
      if (N_mrcc_jobs == N_det_generators) exit
    end if
    do while (computed(l))
      l=l+1
    enddo
    k=N_mrcc_jobs+1
    mrcc_jobs(k) = l
    computed(l) = .True.
    N_mrcc_jobs = k
  enddo
  N_cp = cur_cp
  if(N_mrcc_jobs /= N_det_generators .or. N_cp > N_cps_max) then
    print *, N_mrcc_jobs, N_det_generators, N_cp, N_cps_max
    stop "carlo workcarlo_workbatch"
  end if

  cur_cp = 0
  do i=1,N_mrcc_jobs
    if(done_cp_at(i) /= 0) cur_cp = done_cp_at(i)
    done_cp_at(i) = cur_cp
  end do
  

  under_det = 0
  cp_first_tooth = 0
  do i=1,N_mrcc_jobs
    do j=comb_teeth+1,1,-1
      if(mrcc_jobs(i) <= first_det_of_teeth(j)) then
        under_det(j) = under_det(j) + 1
        if(under_det(j) == first_det_of_teeth(j))then
          do l=done_cp_at(i)+1, N_cp
            cps(:first_det_of_teeth(j)-1, l) = 0d0
            cp_first_tooth(l) = j
          end do
          cps(first_det_of_teeth(j), done_cp_at(i)+1) = &
              cps(first_det_of_teeth(j), done_cp_at(i)+1) * fractage(j)
        end if
      else
        exit
      end if
    end do
  end do
  cps(:, N_cp) = 0d0
  cp_first_tooth(N_cp) = comb_teeth+1

  !iorder = -1132154665
  !do i=1,N_cp-1
  !  call isort(mrcc_jobs(first_cp(i)+1:first_cp(i+1)),iorder,first_cp(i+1)-first_cp(i))
  !end do
END_PROVIDER


subroutine get_comb_val(stato, detail, cur_cp, val)
  implicit none
  integer, intent(in)           :: cur_cp
  integer                       :: first
  double precision, intent(in)  :: stato, detail(N_states, N_det_generators)
  double precision, intent(out) :: val
  double precision :: curs
  integer :: j, k
  integer, external :: mrcc_find

  curs = 1d0 - stato
  val = 0d0
  first = cp_first_tooth(cur_cp) 

  !TODO : check 
  if (first == 0) then
    return
  endif

  do j = comb_teeth, first, -1
    !DIR$ FORCEINLINE
    k = mrcc_find(curs, mrcc_cweight,size(mrcc_cweight), first_det_of_teeth(j), first_det_of_teeth(j+1))
    !if(k < first_det_of_teeth(first)) exit
    if(k == first_det_of_teeth(first)) then
     val += detail(1, k) * mrcc_weight_inv(k) * comb_step * fractage(first)
    else
     val += detail(1, k) * mrcc_weight_inv(k) * comb_step
    end if

    curs -= comb_step
  end do
end subroutine


subroutine get_comb(stato, dets)
  implicit none
  double precision, intent(in) :: stato
  integer, intent(out) :: dets(comb_teeth)
  double precision :: curs
  integer :: j
  integer, external :: mrcc_find

  curs = 1d0 - stato
  do j = comb_teeth, 1, -1
    !DIR$ FORCEINLINE
    dets(j) = mrcc_find(curs, mrcc_cweight,size(mrcc_cweight), first_det_of_teeth(j), first_det_of_teeth(j+1))
    curs -= comb_step
  end do
end subroutine


subroutine add_comb(com, computed, cp, N, tbc)
  implicit none
  double precision, intent(in) :: com
  integer, intent(inout) :: N
  double precision, intent(inout) :: cp(N_det_generators)
  logical, intent(inout) :: computed(N_det_generators)
  integer, intent(inout) :: tbc(N_det_generators)
  integer :: i, k, l, dets(comb_teeth)
  
  !DIR$ FORCEINLINE
  call get_comb(com, dets)
  
  k=N+1
  do i = 1, comb_teeth
    l = dets(i)
    cp(l) += 1d0 ! mrcc_weight_inv(l) * comb_step
    if(.not.(computed(l))) then
      tbc(k) = l
      k = k+1
      computed(l) = .true.
    end if
  end do
  N = k-1
end subroutine



 BEGIN_PROVIDER [ double precision, mrcc_weight, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, mrcc_weight_inv, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, mrcc_cweight, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, mrcc_cweight_cache, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, fractage, (comb_teeth) ]
&BEGIN_PROVIDER [ double precision, comb_step ]
&BEGIN_PROVIDER [ integer, first_det_of_teeth, (0:comb_teeth+1) ]
&BEGIN_PROVIDER [ integer, first_det_of_comb ]
&BEGIN_PROVIDER [ integer, tooth_of_det, (N_det_generators) ]
  implicit none
  integer :: i
  double precision :: norm_left, stato
  integer, external :: mrcc_find  

  mrcc_weight(1) = psi_coef_generators(1,1)**2
  mrcc_cweight(1) = psi_coef_generators(1,1)**2
  
  do i=1,N_det_generators
    mrcc_weight(i) = psi_coef_generators(i,1)**2
  enddo

  ! Important to loop backwards for numerical precision
  mrcc_cweight(N_det_generators) = mrcc_weight(N_det_generators)
  do i=N_det_generators-1,1,-1
    mrcc_cweight(i) = mrcc_weight(i) + mrcc_cweight(i+1) 
  end do
  
  do i=1,N_det_generators
    mrcc_weight(i)  = mrcc_weight(i) / mrcc_cweight(1)
    mrcc_cweight(i) = mrcc_cweight(i) / mrcc_cweight(1)
  enddo

  do i=1,N_det_generators-1
    mrcc_cweight(i) = 1.d0 - mrcc_cweight(i+1) 
  end do
  mrcc_cweight(N_det_generators) = 1.d0
  
  norm_left = 1d0
  
  comb_step = 1d0/dfloat(comb_teeth)
  first_det_of_comb = 1
  do i=1,N_det_generators
    if(mrcc_weight(i)/norm_left < .25d0*comb_step) then
      first_det_of_comb = i
      exit
    end if
    norm_left -= mrcc_weight(i)
  end do
  first_det_of_comb = max(2,first_det_of_comb)
  call write_int(6, first_det_of_comb-1, 'Size of deterministic set')
  

  comb_step =  (1d0 - mrcc_cweight(first_det_of_comb-1)) * comb_step
  
  stato = 1d0 - comb_step
  iloc = N_det_generators
  do i=comb_teeth, 1, -1
    integer :: iloc
    iloc = mrcc_find(stato, mrcc_cweight, N_det_generators, 1, iloc)
    first_det_of_teeth(i) = iloc
    fractage(i) = (mrcc_cweight(iloc) - stato) / mrcc_weight(iloc)
    stato -= comb_step
  end do
  first_det_of_teeth(comb_teeth+1) = N_det_generators + 1
  first_det_of_teeth(1) = first_det_of_comb
  first_det_of_teeth(0) = 1
  

  if(first_det_of_teeth(1) /= first_det_of_comb) then
     print *, 'Error in ', irp_here
     stop "comb provider"
  endif
  
  do i=1,N_det_generators
    mrcc_weight_inv(i) = 1.d0/mrcc_weight(i)
  enddo

  tooth_of_det(:first_det_of_teeth(1)-1) = 0
  do i=1,comb_teeth
    tooth_of_det(first_det_of_teeth(i):first_det_of_teeth(i+1)-1) = i
  end do

  !double precision :: cur
  !fractage = 1d0
  !do i=1,comb_teeth-1
  !  cur = 1d0 - dfloat(i)*comb_step
    
  !end do
END_PROVIDER