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few modif in grids
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@ -47,8 +47,12 @@ END_PROVIDER
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END_DOC
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END_DOC
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implicit none
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implicit none
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integer :: i,j,k,l,i_count
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integer :: i, j, k, l, i_count
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double precision :: r(3)
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double precision :: r(3)
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double precision :: wall0, wall1
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call wall_time(wall0)
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print *, ' Providing extra_final_grid_points ...'
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i_count = 0
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i_count = 0
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do j = 1, nucl_num
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do j = 1, nucl_num
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@ -66,10 +70,25 @@ END_PROVIDER
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index_final_points_extra(2,i_count) = i
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index_final_points_extra(2,i_count) = i
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index_final_points_extra(3,i_count) = j
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index_final_points_extra(3,i_count) = j
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index_final_points_extra_reverse(k,i,j) = i_count
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index_final_points_extra_reverse(k,i,j) = i_count
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if(final_weight_at_r_vector_extra(i_count) .lt. 0.d0) then
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print *, ' !!! WARNING !!!'
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print *, ' negative weight !!!!'
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print *, i_count, final_weight_at_r_vector_extra(i_count)
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if(dabs(final_weight_at_r_vector_extra(i_count)) .lt. 1d-10) then
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final_weight_at_r_vector_extra(i_count) = 0.d0
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else
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stop
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endif
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endif
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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call wall_time(wall1)
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print *, ' wall time for extra_final_grid_points,', wall1 - wall0
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call print_memory_usage()
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END_PROVIDER
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END_PROVIDER
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@ -72,8 +72,12 @@ END_PROVIDER
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print *, ' !!! WARNING !!!'
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print *, ' !!! WARNING !!!'
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print *, ' negative weight !!!!'
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print *, ' negative weight !!!!'
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print *, i_count, final_weight_at_r_vector(i_count)
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print *, i_count, final_weight_at_r_vector(i_count)
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if(dabs(final_weight_at_r_vector(i_count)) .lt. 1d-10) then
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final_weight_at_r_vector(i_count) = 0.d0
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else
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stop
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stop
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endif
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endif
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endif
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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