mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 21:03:56 +01:00
586 lines
16 KiB
Fortran
586 lines
16 KiB
Fortran
BEGIN_PROVIDER [ integer, fragment_first ]
|
|
implicit none
|
|
fragment_first = first_det_of_teeth(1)
|
|
END_PROVIDER
|
|
|
|
subroutine ZMQ_pt2(E, pt2,relative_error)
|
|
use f77_zmq
|
|
use selection_types
|
|
|
|
implicit none
|
|
|
|
character(len=64000) :: task
|
|
integer(ZMQ_PTR) :: zmq_to_qp_run_socket, zmq_to_qp_run_socket2
|
|
type(selection_buffer) :: b
|
|
integer, external :: omp_get_thread_num
|
|
double precision, intent(in) :: relative_error, E
|
|
double precision, intent(out) :: pt2(N_states)
|
|
|
|
|
|
double precision, allocatable :: pt2_detail(:,:), comb(:)
|
|
logical, allocatable :: computed(:)
|
|
integer, allocatable :: tbc(:)
|
|
integer :: i, j, k, Ncomb, generator_per_task, i_generator_end
|
|
integer, external :: pt2_find
|
|
|
|
double precision :: sumabove(comb_teeth), sum2above(comb_teeth), Nabove(comb_teeth)
|
|
double precision, external :: omp_get_wtime
|
|
double precision :: time
|
|
|
|
allocate(pt2_detail(N_states, N_det_generators+1), comb(N_det_generators), computed(N_det_generators), tbc(0:size_tbc))
|
|
sumabove = 0d0
|
|
sum2above = 0d0
|
|
Nabove = 0d0
|
|
|
|
provide nproc fragment_first fragment_count mo_bielec_integrals_in_map mo_mono_elec_integral pt2_weight psi_selectors
|
|
|
|
computed = .false.
|
|
|
|
tbc(0) = first_det_of_comb - 1
|
|
do i=1, tbc(0)
|
|
tbc(i) = i
|
|
computed(i) = .true.
|
|
end do
|
|
|
|
pt2_detail = 0d0
|
|
generator_per_task = 1
|
|
print *, '========== ================= ================= ================='
|
|
print *, ' Samples Energy Stat. Error Seconds '
|
|
print *, '========== ================= ================= ================='
|
|
|
|
call new_parallel_job(zmq_to_qp_run_socket,'pt2')
|
|
call zmq_put_psi(zmq_to_qp_run_socket,1,pt2_e0_denominator,size(pt2_e0_denominator))
|
|
call create_selection_buffer(1, 1*2, b)
|
|
|
|
Ncomb=size(comb)
|
|
call get_carlo_workbatch(computed, comb, Ncomb, tbc)
|
|
|
|
integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
|
|
integer :: ipos
|
|
ipos=1
|
|
|
|
do i=1,tbc(0)
|
|
if(tbc(i) > fragment_first) then
|
|
write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') 0, tbc(i)
|
|
ipos += 20
|
|
if (ipos > 63980) then
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos)))
|
|
ipos=1
|
|
endif
|
|
else
|
|
do j=1,fragment_count
|
|
write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, tbc(i)
|
|
ipos += 20
|
|
if (ipos > 63980) then
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos)))
|
|
ipos=1
|
|
endif
|
|
end do
|
|
end if
|
|
end do
|
|
if (ipos > 1) then
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos)))
|
|
endif
|
|
|
|
call zmq_set_running(zmq_to_qp_run_socket)
|
|
|
|
!$OMP PARALLEL DEFAULT(shared) NUM_THREADS(nproc+1) &
|
|
!$OMP PRIVATE(i)
|
|
i = omp_get_thread_num()
|
|
if (i==0) then
|
|
call pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, sum2above, Nabove, relative_error, pt2)
|
|
else
|
|
call pt2_slave_inproc(i)
|
|
endif
|
|
!$OMP END PARALLEL
|
|
call delete_selection_buffer(b)
|
|
call end_parallel_job(zmq_to_qp_run_socket, 'pt2')
|
|
|
|
print *, '========== ================= ================= ================='
|
|
|
|
deallocate(pt2_detail, comb, computed, tbc)
|
|
|
|
end subroutine
|
|
|
|
|
|
subroutine do_carlo(tbc, Ncomb, comb, pt2_detail, computed, sumabove, sum2above, Nabove)
|
|
integer, intent(in) :: tbc(0:size_tbc), Ncomb
|
|
logical, intent(in) :: computed(N_det_generators)
|
|
double precision, intent(in) :: comb(Ncomb), pt2_detail(N_states, N_det_generators)
|
|
double precision, intent(inout) :: sumabove(comb_teeth), sum2above(comb_teeth), Nabove(comb_teeth)
|
|
integer :: i, dets(comb_teeth)
|
|
double precision :: myVal, myVal2
|
|
|
|
mainLoop : do i=1,Ncomb
|
|
call get_comb(comb(i), dets, comb_teeth)
|
|
do j=1,comb_teeth
|
|
if(.not.(computed(dets(j)))) then
|
|
exit mainLoop
|
|
end if
|
|
end do
|
|
|
|
myVal = 0d0
|
|
myVal2 = 0d0
|
|
do j=comb_teeth,1,-1
|
|
myVal += pt2_detail(1, dets(j)) * pt2_weight_inv(dets(j)) * comb_step
|
|
sumabove(j) += myVal
|
|
sum2above(j) += myVal*myVal
|
|
Nabove(j) += 1
|
|
end do
|
|
end do mainLoop
|
|
end subroutine
|
|
|
|
|
|
subroutine pt2_slave_inproc(i)
|
|
implicit none
|
|
integer, intent(in) :: i
|
|
|
|
call run_pt2_slave(1,i,pt2_e0_denominator)
|
|
end
|
|
|
|
subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, sum2above, Nabove, relative_error, pt2)
|
|
use f77_zmq
|
|
use selection_types
|
|
use bitmasks
|
|
implicit none
|
|
|
|
|
|
integer, intent(in) :: Ncomb
|
|
double precision, intent(inout) :: pt2_detail(N_states, N_det_generators)
|
|
double precision, intent(in) :: comb(Ncomb), relative_error, E
|
|
logical, intent(inout) :: computed(N_det_generators)
|
|
integer, intent(in) :: tbc(0:size_tbc)
|
|
double precision, intent(inout) :: sumabove(comb_teeth), sum2above(comb_teeth), Nabove(comb_teeth)
|
|
double precision, intent(out) :: pt2(N_states)
|
|
|
|
|
|
type(selection_buffer), intent(inout) :: b
|
|
double precision, allocatable :: pt2_mwen(:,:)
|
|
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(ZMQ_PTR) :: zmq_socket_pull
|
|
|
|
integer :: msg_size, rc, more
|
|
integer :: acc, i, j, robin, N, ntask
|
|
double precision, allocatable :: val(:)
|
|
integer(bit_kind), allocatable :: det(:,:,:)
|
|
integer, allocatable :: task_id(:)
|
|
integer :: done, Nindex
|
|
integer, allocatable :: index(:)
|
|
double precision, save :: time0 = -1.d0
|
|
double precision :: time, timeLast, Nabove_old
|
|
double precision, external :: omp_get_wtime
|
|
integer :: tooth, firstTBDcomb, orgTBDcomb
|
|
integer, allocatable :: parts_to_get(:)
|
|
logical, allocatable :: actually_computed(:)
|
|
character*(512) :: task
|
|
Nabove_old = -1.d0
|
|
|
|
allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators), &
|
|
pt2_mwen(N_states, N_det_generators) )
|
|
pt2_mwen(1:N_states, 1:N_det_generators) =0.d0
|
|
do i=1,N_det_generators
|
|
actually_computed(i) = computed(i)
|
|
enddo
|
|
|
|
parts_to_get(:) = 1
|
|
if(fragment_first > 0) then
|
|
do i=1,fragment_first
|
|
parts_to_get(i) = fragment_count
|
|
enddo
|
|
endif
|
|
|
|
do i=1,tbc(0)
|
|
actually_computed(tbc(i)) = .false.
|
|
end do
|
|
|
|
orgTBDcomb = int(Nabove(1))
|
|
firstTBDcomb = 1
|
|
|
|
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
|
|
zmq_socket_pull = new_zmq_pull_socket()
|
|
allocate(val(b%N), det(N_int, 2, b%N), task_id(N_det_generators), index(1))
|
|
more = 1
|
|
if (time0 < 0.d0) then
|
|
call wall_time(time0)
|
|
endif
|
|
timeLast = time0
|
|
|
|
call get_first_tooth(actually_computed, tooth)
|
|
Nabove_old = Nabove(tooth)
|
|
|
|
pullLoop : do while (more == 1)
|
|
|
|
call pull_pt2_results(zmq_socket_pull, Nindex, index, pt2_mwen, task_id, ntask)
|
|
do i=1,Nindex
|
|
pt2_detail(1:N_states, index(i)) += pt2_mwen(1:N_states,i)
|
|
parts_to_get(index(i)) -= 1
|
|
if(parts_to_get(index(i)) < 0) then
|
|
print *, i, index(i), parts_to_get(index(i)), Nindex
|
|
print *, "PARTS ??"
|
|
print *, parts_to_get
|
|
stop "PARTS ??"
|
|
end if
|
|
if(parts_to_get(index(i)) == 0) actually_computed(index(i)) = .true.
|
|
end do
|
|
|
|
do i=1, ntask
|
|
if(task_id(i) == 0) then
|
|
print *, "Error in collector"
|
|
endif
|
|
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id(i),more)
|
|
end do
|
|
|
|
time = omp_get_wtime()
|
|
|
|
if(time - timeLast > 10d0 .or. more /= 1) then
|
|
timeLast = time
|
|
do i=1, first_det_of_teeth(1)-1
|
|
if(.not.(actually_computed(i))) then
|
|
cycle pullLoop
|
|
end if
|
|
end do
|
|
|
|
double precision :: E0, avg, eqt, prop
|
|
call do_carlo(tbc, Ncomb+1-firstTBDcomb, comb(firstTBDcomb), pt2_detail, actually_computed, sumabove, sum2above, Nabove)
|
|
firstTBDcomb = int(Nabove(1)) - orgTBDcomb + 1
|
|
if(Nabove(1) < 5d0) cycle
|
|
call get_first_tooth(actually_computed, tooth)
|
|
|
|
done = 0
|
|
do i=first_det_of_teeth(tooth), first_det_of_teeth(tooth+1)-1
|
|
if(actually_computed(i)) done = done + 1
|
|
end do
|
|
|
|
E0 = sum(pt2_detail(1,:first_det_of_teeth(tooth)-1))
|
|
if (tooth <= comb_teeth) then
|
|
prop = ((1d0 - dfloat(comb_teeth - tooth + 1) * comb_step) - pt2_cweight(first_det_of_teeth(tooth)-1))
|
|
prop = prop * pt2_weight_inv(first_det_of_teeth(tooth))
|
|
E0 += pt2_detail(1,first_det_of_teeth(tooth)) * prop
|
|
avg = E0 + (sumabove(tooth) / Nabove(tooth))
|
|
eqt = sqrt(1d0 / (Nabove(tooth)-1) * abs(sum2above(tooth) / Nabove(tooth) - (sumabove(tooth)/Nabove(tooth))**2))
|
|
else
|
|
eqt = 0.d0
|
|
endif
|
|
call wall_time(time)
|
|
if (dabs(eqt/avg) < relative_error) then
|
|
! Termination
|
|
pt2(1) = avg
|
|
print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', Nabove(tooth), avg+E, eqt, time-time0, ''
|
|
call zmq_abort(zmq_to_qp_run_socket)
|
|
else
|
|
if (Nabove(tooth) > Nabove_old) then
|
|
print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', Nabove(tooth), avg+E, eqt, time-time0, ''
|
|
!print "(4(G23.13), 4(I9))", time - time0, avg, eqt, Nabove(tooth), tooth, first_det_of_teeth(tooth)-1, done, first_det_of_teeth(tooth+1)-first_det_of_teeth(tooth)
|
|
Nabove_old = Nabove(tooth)
|
|
endif
|
|
endif
|
|
!print "(4(G22.13), 4(I9))", time - time0, avg, eqt, Nabove(tooth), tooth, first_det_of_teeth(tooth)-1, done, first_det_of_teeth(tooth+1)-first_det_of_teeth(tooth)
|
|
end if
|
|
end do pullLoop
|
|
|
|
E0 = sum(pt2_detail(1,:first_det_of_teeth(tooth)-1))
|
|
prop = ((1d0 - dfloat(comb_teeth - tooth + 1) * comb_step) - pt2_cweight(first_det_of_teeth(tooth)-1))
|
|
prop = prop * pt2_weight_inv(first_det_of_teeth(tooth))
|
|
E0 += pt2_detail(1,first_det_of_teeth(tooth)) * prop
|
|
pt2(1) = E0 + (sumabove(tooth) / Nabove(tooth))
|
|
eqt = sqrt(1d0 / (Nabove(tooth)-1) * abs(sum2above(tooth) / Nabove(tooth) - (sumabove(tooth)/Nabove(tooth))**2))
|
|
|
|
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|
call end_zmq_pull_socket(zmq_socket_pull)
|
|
call sort_selection_buffer(b)
|
|
end subroutine
|
|
|
|
integer function pt2_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 pt2_find=l,h
|
|
if(w(pt2_find) >= v) then
|
|
exit
|
|
end if
|
|
end do
|
|
end function
|
|
|
|
|
|
BEGIN_PROVIDER [ integer, comb_teeth ]
|
|
implicit none
|
|
comb_teeth = 100
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
subroutine get_first_tooth(computed, first_teeth)
|
|
implicit none
|
|
logical, intent(in) :: computed(N_det_generators)
|
|
integer, intent(out) :: first_teeth
|
|
integer :: i, first_det
|
|
|
|
first_det = 1
|
|
first_teeth = 1
|
|
do i=first_det_of_comb, N_det_generators
|
|
if(.not.(computed(i))) then
|
|
first_det = i
|
|
exit
|
|
end if
|
|
end do
|
|
|
|
do i=comb_teeth, 1, -1
|
|
if(first_det_of_teeth(i) < first_det) then
|
|
first_teeth = i
|
|
exit
|
|
end if
|
|
end do
|
|
|
|
end subroutine
|
|
|
|
|
|
subroutine get_last_full_tooth(computed, last_tooth)
|
|
implicit none
|
|
logical, intent(in) :: computed(N_det_generators)
|
|
integer, intent(out) :: last_tooth
|
|
integer :: i, j, missing
|
|
|
|
last_tooth = 0
|
|
combLoop : do i=comb_teeth, 1, -1
|
|
missing = 1+ ishft(first_det_of_teeth(i+1)-first_det_of_teeth(i),-4) ! /16
|
|
do j=first_det_of_teeth(i), first_det_of_teeth(i+1)-1
|
|
if(.not.computed(j)) then
|
|
missing -= 1
|
|
if(missing < 0) cycle combLoop
|
|
end if
|
|
end do
|
|
last_tooth = i
|
|
exit
|
|
end do combLoop
|
|
end subroutine
|
|
|
|
|
|
BEGIN_PROVIDER [ integer, size_tbc ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Size of the tbc array
|
|
END_DOC
|
|
size_tbc = (comb_teeth+1)*N_det_generators + fragment_count*fragment_first
|
|
END_PROVIDER
|
|
|
|
subroutine get_carlo_workbatch(computed, comb, Ncomb, tbc)
|
|
implicit none
|
|
integer, intent(inout) :: Ncomb
|
|
double precision, intent(out) :: comb(Ncomb)
|
|
integer, intent(inout) :: tbc(0:size_tbc)
|
|
logical, intent(inout) :: computed(N_det_generators)
|
|
integer :: i, j, last_full, dets(comb_teeth)
|
|
integer :: icount, n
|
|
integer :: k, l
|
|
l=first_det_of_comb
|
|
call RANDOM_NUMBER(comb)
|
|
do i=1,size(comb)
|
|
comb(i) = comb(i) * comb_step
|
|
!DIR$ FORCEINLINE
|
|
call add_comb(comb(i), computed, tbc, size_tbc, comb_teeth)
|
|
Ncomb = i
|
|
if (tbc(0) == N_det_generators) return
|
|
do while (computed(l))
|
|
l=l+1
|
|
enddo
|
|
k=tbc(0)+1
|
|
tbc(k) = l
|
|
computed(l) = .True.
|
|
tbc(0) = k
|
|
enddo
|
|
|
|
end subroutine
|
|
|
|
|
|
subroutine get_filling_teeth(computed, tbc)
|
|
implicit none
|
|
integer, intent(inout) :: tbc(0:size_tbc)
|
|
logical, intent(inout) :: computed(N_det_generators)
|
|
integer :: i, j, k, last_full, dets(comb_teeth)
|
|
|
|
call get_last_full_tooth(computed, last_full)
|
|
if(last_full /= 0) then
|
|
if (tbc(0) > size(tbc) - first_det_of_teeth(last_full+1) -2) then
|
|
return
|
|
endif
|
|
k = tbc(0)+1
|
|
do j=1,first_det_of_teeth(last_full+1)-1
|
|
if(.not.(computed(j))) then
|
|
tbc(k) = j
|
|
k=k+1
|
|
computed(j) = .true.
|
|
end if
|
|
end do
|
|
tbc(0) = k-1
|
|
end if
|
|
|
|
end subroutine
|
|
|
|
|
|
subroutine reorder_tbc(tbc)
|
|
implicit none
|
|
integer, intent(inout) :: tbc(0:size_tbc)
|
|
logical, allocatable :: ltbc(:)
|
|
integer :: i, ci
|
|
|
|
allocate(ltbc(size_tbc))
|
|
ltbc(:) = .false.
|
|
do i=1,tbc(0)
|
|
ltbc(tbc(i)) = .true.
|
|
end do
|
|
|
|
ci = 0
|
|
do i=1,size_tbc
|
|
if(ltbc(i)) then
|
|
ci = ci+1
|
|
tbc(ci) = i
|
|
end if
|
|
end do
|
|
end subroutine
|
|
|
|
|
|
subroutine get_comb(stato, dets, ct)
|
|
implicit none
|
|
integer, intent(in) :: ct
|
|
double precision, intent(in) :: stato
|
|
integer, intent(out) :: dets(ct)
|
|
double precision :: curs
|
|
integer :: j
|
|
integer, external :: pt2_find
|
|
|
|
curs = 1d0 - stato
|
|
do j = comb_teeth, 1, -1
|
|
!DIR$ FORCEINLINE
|
|
dets(j) = pt2_find(curs, pt2_cweight,size(pt2_cweight), first_det_of_teeth(j), first_det_of_teeth(j+1))
|
|
curs -= comb_step
|
|
end do
|
|
end subroutine
|
|
|
|
|
|
subroutine add_comb(comb, computed, tbc, stbc, ct)
|
|
implicit none
|
|
integer, intent(in) :: stbc, ct
|
|
double precision, intent(in) :: comb
|
|
logical, intent(inout) :: computed(N_det_generators)
|
|
integer, intent(inout) :: tbc(0:stbc)
|
|
integer :: i, k, l, dets(ct)
|
|
|
|
!DIR$ FORCEINLINE
|
|
call get_comb(comb, dets, ct)
|
|
|
|
k=tbc(0)+1
|
|
do i = 1, ct
|
|
l = dets(i)
|
|
if(.not.(computed(l))) then
|
|
tbc(k) = l
|
|
k = k+1
|
|
computed(l) = .true.
|
|
end if
|
|
end do
|
|
tbc(0) = k-1
|
|
end subroutine
|
|
|
|
|
|
|
|
BEGIN_PROVIDER [ double precision, pt2_weight, (N_det_generators) ]
|
|
&BEGIN_PROVIDER [ double precision, pt2_cweight, (N_det_generators) ]
|
|
&BEGIN_PROVIDER [ double precision, pt2_cweight_cache, (N_det_generators) ]
|
|
&BEGIN_PROVIDER [ double precision, comb_step ]
|
|
&BEGIN_PROVIDER [ integer, first_det_of_teeth, (comb_teeth+1) ]
|
|
&BEGIN_PROVIDER [ integer, first_det_of_comb ]
|
|
implicit none
|
|
integer :: i
|
|
double precision :: norm_left, stato
|
|
integer, external :: pt2_find
|
|
|
|
pt2_weight(1) = psi_coef_generators(1,1)**2
|
|
pt2_cweight(1) = psi_coef_generators(1,1)**2
|
|
|
|
do i=1,N_det_generators
|
|
pt2_weight(i) = psi_coef_generators(i,1)**2
|
|
enddo
|
|
|
|
! Important to loop backwards for numerical precision
|
|
pt2_cweight(N_det_generators) = pt2_weight(N_det_generators)
|
|
do i=N_det_generators-1,1,-1
|
|
pt2_cweight(i) = pt2_weight(i) + pt2_cweight(i+1)
|
|
end do
|
|
|
|
do i=1,N_det_generators
|
|
pt2_weight(i) = pt2_weight(i) / pt2_cweight(1)
|
|
pt2_cweight(i) = pt2_cweight(i) / pt2_cweight(1)
|
|
enddo
|
|
|
|
do i=1,N_det_generators-1
|
|
pt2_cweight(i) = 1.d0 - pt2_cweight(i+1)
|
|
end do
|
|
pt2_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(pt2_weight(i)/norm_left < .5d0*comb_step) then
|
|
first_det_of_comb = i
|
|
exit
|
|
end if
|
|
norm_left -= pt2_weight(i)
|
|
end do
|
|
call write_int(6, first_det_of_comb-1, 'Size of deterministic set')
|
|
|
|
comb_step = (1d0 - pt2_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 = pt2_find(stato, pt2_cweight, N_det_generators, 1, iloc)
|
|
first_det_of_teeth(i) = 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
|
|
|
|
END_PROVIDER
|
|
|
|
BEGIN_PROVIDER [ double precision, pt2_weight_inv, (N_det_generators) ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Inverse of pt2_weight array
|
|
END_DOC
|
|
integer :: i
|
|
do i=1,N_det_generators
|
|
pt2_weight_inv(i) = 1.d0/pt2_weight(i)
|
|
enddo
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
|
|