LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 22:03:51 +01:00
Code Issues Releases Wiki Activity
0b9392e7f4
quantum_package/plugins/dress_zmq/dress_stoch_routines.irp.f

732 lines
22 KiB
Fortran
Raw Blame History

BEGIN_PROVIDER [ integer, fragment_first ]
implicit none
fragment_first = first_det_of_teeth(1)
END_PROVIDER
subroutine ZMQ_dress(E, dress, delta_out, delta_s2_out, relative_error, lndet)
use f77_zmq
implicit none
integer, intent(in) :: lndet
character(len=64000) :: task
character(len=3200) :: temp
integer(ZMQ_PTR) :: zmq_to_qp_run_socket, zmq_socket_pull
integer, external :: omp_get_thread_num
double precision, intent(in) :: E(N_states), relative_error
double precision, intent(out) :: dress(N_states)
double precision, intent(out) :: delta_out(N_states, N_det)
double precision, intent(out) :: delta_s2_out(N_states, N_det)
double precision, allocatable :: delta(:,:)
double precision, allocatable :: delta_s2(:,:)
integer :: i, j, k, Ncp
double precision, external :: omp_get_wtime
double precision :: time
integer, external :: add_task_to_taskserver
double precision :: state_average_weight_save(N_states)
task(:) = CHAR(0)
temp(:) = CHAR(0)
allocate(delta(N_states,N_det), delta_s2(N_states, N_det))
state_average_weight_save(:) = state_average_weight(:)
do dress_stoch_istate=1,N_states
SOFT_TOUCH dress_stoch_istate
state_average_weight(:) = 0.d0
state_average_weight(dress_stoch_istate) = 1.d0
TOUCH state_average_weight
!provide psi_coef_generators
provide nproc fragment_first fragment_count mo_bielec_integrals_in_map mo_mono_elec_integral dress_weight psi_selectors
!print *, dress_e0_denominator
print *, '========== ================= ================= ================='
print *, ' Samples Energy Stat. Error Seconds '
print *, '========== ================= ================= ================='
call new_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull, 'dress')
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',dress_e0_denominator,size(dress_e0_denominator)) == -1) then
stop 'Unable to put energy on ZMQ server'
endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,"state_average_weight",state_average_weight,N_states) == -1) then
stop 'Unable to put state_average_weight on ZMQ server'
endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,"dress_stoch_istate",real(dress_stoch_istate,8),1) == -1) then
stop 'Unable to put dress_stoch_istate on ZMQ server'
endif
integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
integer :: ipos, sz
integer :: block(1), block_i, cur_tooth_reduce, ntas
logical :: flushme
block = 0
block_i = 0
cur_tooth_reduce = 0
ipos=1
ntas = 0
do i=1,N_dress_jobs+1
flushme = (i==N_dress_jobs+1 .or. block_i == size(block) .or. block_i >=cur_tooth_reduce )
if(.not. flushme) flushme = (tooth_reduce(dress_jobs(i)) == 0 .or. tooth_reduce(dress_jobs(i)) /= cur_tooth_reduce)
if(flushme .and. block_i > 0) then
if(block(1) > fragment_first) then
ntas += 1
write(temp, '(I9,1X,60(I9,1X))') 0, block(:block_i)
sz = len(trim(temp))+1
temp(sz:sz) = '|'
!write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') 0, dress_jobs(i)
write(task(ipos:ipos+sz), *) temp(:sz)
!ipos += 20
ipos += sz+1
if (ipos > 63000 .or. i==N_dress_jobs+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
ipos=1
endif
else
if(block_i /= 1) stop "reduced fragmented dets"
do j=1,fragment_count
ntas += 1
write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, block(1)
ipos += 20
if (ipos > 63000 .or. i==N_dress_jobs+1) then
ntas += 1
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
block_i = 0
block = 0
end if
if(i /= N_dress_jobs+1) then
cur_tooth_reduce = tooth_reduce(dress_jobs(i))
block_i += 1
block(block_i) = dress_jobs(i)
end if
end do
if (zmq_set_running(zmq_to_qp_run_socket) == -1) then
print *, irp_here, ': Failed in zmq_set_running'
endif
call omp_set_nested(.true.)
!$OMP PARALLEL DEFAULT(shared) NUM_THREADS(2) &
!$OMP PRIVATE(i)
i = omp_get_thread_num()
if (i==0) then
call dress_collector(zmq_socket_pull,E, relative_error, delta, delta_s2, dress,&
dress_stoch_istate)
else
call dress_slave_inproc(i)
endif
!$OMP END PARALLEL
call omp_set_nested(.false.)
delta_out(dress_stoch_istate,1:N_det) = delta(dress_stoch_istate,1:N_det)
delta_s2_out(dress_stoch_istate,1:N_det) = delta_s2(dress_stoch_istate,1:N_det)
call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'dress')
print *, '========== ================= ================= ================='
enddo
FREE dress_stoch_istate
state_average_weight(:) = state_average_weight_save(:)
TOUCH state_average_weight
deallocate(delta,delta_s2)
end subroutine
subroutine dress_slave_inproc(i)
implicit none
integer, intent(in) :: i
call run_dress_slave(1,i,dress_e0_denominator)
end
subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, dress, istate)
use f77_zmq
use bitmasks
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
integer, intent(in) :: istate
double precision, intent(in) :: relative_error, E(N_states)
double precision, intent(out) :: dress(N_states)
double precision, allocatable :: cp(:,:,:,:)
double precision, intent(out) :: delta(N_states, N_det)
double precision, intent(out) :: delta_s2(N_states, N_det)
double precision, allocatable :: delta_loc(:,:,:)
double precision, allocatable :: dress_detail(:,:)
double precision :: dress_mwen(N_states)
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
integer :: task_id, ind
double precision, save :: time0 = -1.d0
double precision :: time
double precision, external :: omp_get_wtime
integer :: cur_cp, last_cp
integer :: delta_loc_cur, is, N_buf(3)
integer, allocatable :: int_buf(:), agreg_for_cp(:)
double precision, allocatable :: double_buf(:)
integer(bit_kind), allocatable :: det_buf(:,:,:)
integer, external :: zmq_delete_tasks
last_cp = 10000000
allocate(agreg_for_cp(N_cp))
agreg_for_cp = 0
allocate(int_buf(N_dress_int_buffer), double_buf(N_dress_double_buffer), det_buf(N_int,2,N_dress_det_buffer))
delta_loc_cur = 1
delta = 0d0
delta_s2 = 0d0
allocate(cp(N_states, N_det, N_cp, 2), dress_detail(N_states, N_det))
allocate(delta_loc(N_states, N_det, 2))
dress_detail = -1000d0
cp = 0d0
character*(512) :: task
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
more = 1
if (time0 < 0.d0) then
call wall_time(time0)
endif
logical :: loop, floop
floop = .true.
loop = .true.
pullLoop : do while (loop)
call pull_dress_results(zmq_socket_pull, ind, cur_cp, delta_loc, int_buf, double_buf, det_buf, N_buf, task_id, dress_mwen)
if(floop) then
call wall_time(time)
time0 = time
floop = .false.
end if
if(cur_cp == -1 .and. ind == N_det_generators) then
call wall_time(time)
end if
if(cur_cp == -1) then
call dress_pulled(ind, int_buf, double_buf, det_buf, N_buf)
if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,1,more) == -1) then
stop 'Unable to delete tasks'
endif
if(more == 0) loop = .false. !stop 'loop = .false.' !!!!!!!!!!!!!!!!
dress_detail(:, ind) = dress_mwen(:)
!print *, "DETAIL", ind, dress_mwen
else if(cur_cp > 0) then
if(ind == 0) cycle
!$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(i)
do i=1,N_det
cp(:,i,cur_cp,1) += delta_loc(:,i,1)
end do
!$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(i)
do i=1,N_det
cp(:,i,cur_cp,2) += delta_loc(:,i,2)
end do
!$OMP END PARALLEL DO
agreg_for_cp(cur_cp) += ind
!print *, agreg_for_cp(cur_cp), ind, needed_by_cp(cur_cp), cur_cp
if(agreg_for_cp(cur_cp) > needed_by_cp(cur_cp)) then
stop "too much results..."
end if
if(agreg_for_cp(cur_cp) /= needed_by_cp(cur_cp)) cycle
call wall_time(time)
last_cp = cur_cp
double precision :: su, su2, eqt, avg, E0, val
integer, external :: zmq_abort
su = 0d0
su2 = 0d0
!$OMP PARALLEL DO DEFAULT(NONE) PRIVATE(i, val) SHARED(comb, dress_detail, &
!$OMP cur_cp,istate,cps_N) REDUCTION(+:su) REDUCTION(+:su2)
do i=1, int(cps_N(cur_cp))
call get_comb_val(comb(i), dress_detail, cur_cp, val, istate)
su += val
su2 += val*val
end do
!$OMP END PARALLEL DO
avg = su / cps_N(cur_cp)
eqt = dsqrt( ((su2 / cps_N(cur_cp)) - avg*avg) / cps_N(cur_cp) )
E0 = sum(dress_detail(istate, :first_det_of_teeth(cp_first_tooth(cur_cp))-1))
if(cp_first_tooth(cur_cp) <= comb_teeth) then
E0 = E0 + dress_detail(istate, first_det_of_teeth(cp_first_tooth(cur_cp))) * (1d0-fractage(cp_first_tooth(cur_cp)))
end if
!print '(I2X, F16.7, 2X, G16.3, 2X, F16.4, A20)', avg+E(istate)+E0, eqt, time-time0, ''
print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', cps_N(cur_cp), avg+E0+E(istate), eqt, time-time0, ''
if ((dabs(eqt/(avg+E0+E(istate))) < relative_error .and. cps_N(cur_cp) >= 10)) then
! Termination
print *, "TERMINATE"
if (zmq_abort(zmq_to_qp_run_socket) == -1) then
call sleep(1)
if (zmq_abort(zmq_to_qp_run_socket) == -1) then
print *, irp_here, ': Error in sending abort signal (2)'
endif
endif
endif
end if
end do pullLoop
delta(:,:) = cp(:,:,last_cp,1)
delta_s2(:,:) = cp(:,:,last_cp,2)
dress(istate) = E(istate)+E0+avg
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
end subroutine
integer function dress_find(v, w, sze, imin, imax)
implicit none
integer, intent(in) :: sze, imin, imax
double precision, intent(in) :: v, w(sze)
integer :: i,l,h
integer, parameter :: block=64
l = imin
h = imax-1
do while(h-l >= block)
i = ishft(h+l,-1)
if(w(i+1) > v) then
h = i-1
else
l = i+1
end if
end do
!DIR$ LOOP COUNT (64)
do dress_find=l,h
if(w(dress_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
BEGIN_DOC
! N_cps_max : max number of checkpoints
!
! gen_per_cp : number of generators per checkpoint
END_DOC
comb_teeth = min(1+N_det/10,10)
N_cps_max = 16
gen_per_cp = (N_det_generators / N_cps_max) + 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 [ integer, done_cp_at_det, (N_det_generators) ]
&BEGIN_PROVIDER [ integer, needed_by_cp, (0:N_cps_max) ]
&BEGIN_PROVIDER [ double precision, cps, (N_det_generators, N_cps_max) ]
&BEGIN_PROVIDER [ integer, N_dress_jobs ]
&BEGIN_PROVIDER [ integer, dress_jobs, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, comb, (N_det_generators) ]
&BEGIN_PROVIDER [ integer, tooth_reduce, (N_det_generators) ]
implicit none
logical, allocatable :: computed(:), comp_filler(:)
integer :: i, j, last_full, dets(comb_teeth)
integer :: k, l, cur_cp, under_det(comb_teeth+1)
integer :: cp_limit(N_cps_max)
integer, allocatable :: iorder(:), first_cp(:)
integer, allocatable :: filler(:)
integer :: nfiller, lfiller, cfiller
logical :: fracted
integer :: first_suspect
provide psi_coef_generators
first_suspect = 1
allocate(filler(n_det_generators))
allocate(iorder(N_det_generators), first_cp(N_cps_max+1))
allocate(computed(N_det_generators))
allocate(comp_filler(N_det_generators))
first_cp = 1
cps = 0d0
cur_cp = 1
done_cp_at = 0
done_cp_at_det = 0
needed_by_cp = 0
comp_filler = .false.
computed = .false.
cps_N = 1d0
tooth_reduce = 0
integer :: fragsize
fragsize = N_det_generators / ((N_cps_max-1+1)*(N_cps_max-1+2)/2)
do i=1,N_cps_max
cp_limit(i) = fragsize * i * (i+1) / 2
end do
cp_limit(N_cps_max) = N_det*2
N_dress_jobs = first_det_of_comb - 1
do i=1, N_dress_jobs
dress_jobs(i) = i
computed(i) = .true.
end do
l=first_det_of_comb
call random_seed(put=(/321,654,65,321,65,321,654,65,321,6321,654,65,321,621,654,65,321,65,654,65,321,65/))
call RANDOM_NUMBER(comb)
lfiller = 1
nfiller = 1
do i=1,N_det_generators
!print *, i, N_dress_jobs
comb(i) = comb(i) * comb_step
!DIR$ FORCEINLINE
call add_comb(comb(i), computed, cps(1, cur_cp), N_dress_jobs, dress_jobs)
!if(N_dress_jobs / gen_per_cp > (cur_cp-1) .or. N_dress_jobs == N_det_generators) then
if(N_dress_jobs > cp_limit(cur_cp) .or. N_dress_jobs == N_det_generators) then
first_cp(cur_cp+1) = N_dress_jobs
done_cp_at(N_dress_jobs) = cur_cp
cps_N(cur_cp) = dfloat(i)
if(N_dress_jobs /= N_det_generators) then
cps(:, cur_cp+1) = cps(:, cur_cp)
cur_cp += 1
end if
if (N_dress_jobs == N_det_generators) then
exit
end if
end if
!!!!!!!!!!!!!!!!!!!!!!!!
if(.TRUE.) then
do l=first_suspect,N_det_generators
if((.not. computed(l))) then
N_dress_jobs+=1
dress_jobs(N_dress_jobs) = l
computed(l) = .true.
first_suspect = l
exit
end if
end do
if (N_dress_jobs == N_det_generators) exit
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
ELSE
!!!!!!!!!!!!!!!!!!!!!!!!!!!!
do l=first_suspect,N_det_generators
if((.not. computed(l)) .and. (.not. comp_filler(l))) exit
end do
first_suspect = l
if(l > N_det_generators) cycle
cfiller = tooth_of_det(l)-1
if(cfiller > lfiller) then
do j=1,nfiller-1
if(.not. computed(filler(j))) then
k=N_dress_jobs+1
dress_jobs(k) = filler(j)
N_dress_jobs = k
end if
computed(filler(j)) = .true.
end do
nfiller = 2
filler(1) = l
lfiller = cfiller
else
filler(nfiller) = l
nfiller += 1
end if
comp_filler(l) = .True.
end if
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
enddo
do j=1,nfiller-1
if(.not. computed(filler(j)))then
k=N_dress_jobs+1
dress_jobs(k) = filler(j)
N_dress_jobs = k
end if
computed(filler(j)) = .true.
end do
N_cp = cur_cp
if(N_dress_jobs /= N_det_generators .or. N_cp > N_cps_max) then
print *, N_dress_jobs, N_det_generators, N_cp, N_cps_max
stop "error in jobs creation"
end if
cur_cp = 0
do i=1,N_dress_jobs
if(done_cp_at(i) /= 0) cur_cp = done_cp_at(i)
done_cp_at(i) = cur_cp
done_cp_at_det(dress_jobs(i)) = cur_cp
needed_by_cp(cur_cp) += 1
end do
under_det = 0
cp_first_tooth = 0
do i=1,N_dress_jobs
do j=comb_teeth+1,1,-1
if(dress_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
cp_first_tooth(N_cp) = comb_teeth+1
do i=1,N_det_generators
do j=N_cp,2,-1
cps(i,j) -= cps(i,j-1)
end do
end do
iorder = -1
cps(:, N_cp) = 0d0
iloop : do i=fragment_first+1,N_det_generators
k = tooth_of_det(i)
if(k == 0) cycle
if (i == first_det_of_teeth(k)) cycle
do j=1,N_cp
if(cps(i, j) /= 0d0) cycle iloop
end do
tooth_reduce(i) = k
end do iloop
do i=1,N_det_generators
if(tooth_reduce(dress_jobs(i)) == 0) dress_jobs(i) = dress_jobs(i)+N_det*2
end do
do i=1,N_cp-1
call isort(dress_jobs(first_cp(i)+1),iorder,first_cp(i+1)-first_cp(i)-1)
end do
do i=1,N_det_generators
if(dress_jobs(i) > N_det) dress_jobs(i) = dress_jobs(i) - N_det*2
end do
END_PROVIDER
subroutine get_comb_val(stato, detail, cur_cp, val, istate)
implicit none
integer, intent(in) :: cur_cp, istate
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 :: dress_find
curs = 1d0 - stato
val = 0d0
first = cp_first_tooth(cur_cp)
do j = comb_teeth, first, -1
!DIR$ FORCEINLINE
k = dress_find(curs, dress_cweight,size(dress_cweight), first_det_of_teeth(j), first_det_of_teeth(j+1))
if(k == first_det_of_teeth(first)) then
val += detail(istate, k) * dress_weight_inv(k) * comb_step * fractage(first)
else
val += detail(istate, k) * dress_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 :: dress_find
curs = 1d0 - stato
do j = comb_teeth, 1, -1
!DIR$ FORCEINLINE
dets(j) = dress_find(curs, dress_cweight,size(dress_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)
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
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 [ integer, dress_stoch_istate ]
implicit none
dress_stoch_istate = 1
END_PROVIDER
BEGIN_PROVIDER [ double precision, dress_weight, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, dress_weight_inv, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, dress_cweight, (N_det_generators) ]
&BEGIN_PROVIDER [ double precision, dress_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, (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 :: dress_find
dress_weight(1) = psi_coef_generators(1,dress_stoch_istate)**2
dress_cweight(1) = psi_coef_generators(1,dress_stoch_istate)**2
do i=1,N_det_generators
dress_weight(i) = psi_coef_generators(i,dress_stoch_istate)**2
enddo
! Important to loop backwards for numerical precision
dress_cweight(N_det_generators) = dress_weight(N_det_generators)
do i=N_det_generators-1,1,-1
dress_cweight(i) = dress_weight(i) + dress_cweight(i+1)
end do
do i=1,N_det_generators
dress_weight(i) = dress_weight(i) / dress_cweight(1)
dress_cweight(i) = dress_cweight(i) / dress_cweight(1)
enddo
do i=1,N_det_generators-1
dress_cweight(i) = 1.d0 - dress_cweight(i+1)
end do
dress_cweight(N_det_generators) = 1.d0
norm_left = 1d0
comb_step = 1d0/dfloat(comb_teeth)
!print *, "comb_step", comb_step
first_det_of_comb = 1
do i=1,N_det_generators ! min(100,N_det_generators)
first_det_of_comb = i
if(dress_weight(i)/norm_left < comb_step) then
exit
end if
norm_left -= dress_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 - dress_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 = dress_find(stato, dress_cweight, N_det_generators, 1, iloc)
first_det_of_teeth(i) = iloc
fractage(i) = (dress_cweight(iloc) - stato) / dress_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
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
dress_weight_inv(i) = 1.d0/dress_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
END_PROVIDER
Reference in New Issue View Git Blame Copy Permalink