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Fixed generation of scatter % mult from complicated nuclidic information

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This commit is contained in:
Adam Nelson 2016-05-01 21:16:31 -04:00
parent b35d37c4fb
commit f20636565a
2 changed files with 71 additions and 11 deletions
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2
src/mgxs_data.F90
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@ -164,8 +164,6 @@ contains
subroutine create_macro_xs()
integer :: i_mat ! index in materials array
integer :: i ! loop index over nuclides
integer :: l ! Loop over score bins
type(Material), pointer :: mat ! current material
integer :: scatt_type

80
src/mgxs_header.F90
View file

@ -1333,9 +1333,9 @@ module mgxs_header
integer :: i ! loop index over nuclides
integer :: gin, gout ! group indices
real(8) :: atom_density ! atom density of a nuclide
real(8) :: norm
real(8) :: norm, nuscatt
integer :: mat_max_order, order, order_dim, nuc_order_dim
real(8), allocatable :: temp_mult(:,:)
real(8), allocatable :: temp_mult(:,:), mult_num(:,:), mult_denom(:,:)
real(8), allocatable :: scatt_coeffs(:,:,:)
! Set the meta-data
@ -1417,6 +1417,10 @@ module mgxs_header
this % chi = ZERO
allocate(temp_mult(groups,groups))
temp_mult = ZERO
allocate(mult_num(groups,groups))
mult_num = ZERO
allocate(mult_denom(groups,groups))
mult_denom = ZERO
allocate(scatt_coeffs(order_dim,groups,groups))
scatt_coeffs = ZERO
@ -1445,10 +1449,24 @@ module mgxs_header
end if
! Get the multiplication matrix
! To combine from nuclidic data we need to use the final relationship
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) /
! sum_i(N_i*(nuscatt_{i,g,g'} / mult_{i,g,g'}))
! Developed as follows:
! mult_{gg'} = nuScatt{g,g'} / Scatt{g,g'}
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) / sum(N_i*scatt_{i,g,g'})
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) /
! sum_i(N_i*(nuscatt_{i,g,g'} / mult_{i,g,g'}))
! nuscatt_{i,g,g'} can be reconstructed from scatter % energy and
! scatter % scattxs
do gin = 1, groups
do gout = nuc % scatter % gmin(gin), nuc % scatter % gmax(gin)
temp_mult(gout,gin) = temp_mult(gout,gin) + atom_density * &
nuc % scatter % mult(gin) % data(gout)
nuscatt = nuc % scatter % scattxs(gin) * &
nuc % scatter % energy(gin) % data(gout)
mult_num(gout, gin) = mult_num(gout, gin) + atom_density * &
nuscatt
mult_denom(gout, gin) = mult_denom(gout,gin) + atom_density * &
nuscatt / nuc % scatter % mult(gin) % data(gout)
end do
end do
@ -1464,6 +1482,17 @@ module mgxs_header
end select
end do
! Obtain temp_mult
do gin = 1, groups
do gout = 1, groups
if (mult_denom(gout, gin) > ZERO) then
temp_mult(gout, gin) = mult_num(gout, gin) / mult_denom(gout, gin)
else
temp_mult(gout, gin) = ONE
end if
end do
end do
! Initialize the ScattData Object
call this % scatter % init(temp_mult,scatt_coeffs)
@ -1478,7 +1507,7 @@ module mgxs_header
end if
! Deallocate temporaries
deallocate(scatt_coeffs, temp_mult)
deallocate(scatt_coeffs, temp_mult, mult_num, mult_denom)
end subroutine mgxsiso_combine
@ -1496,9 +1525,9 @@ module mgxs_header
integer :: gin, gout ! group indices
real(8) :: atom_density ! atom density of a nuclide
integer :: ipol, iazi, n_pol, n_azi
real(8) :: norm
real(8) :: norm, nuscatt
integer :: mat_max_order, order, order_dim, nuc_order_dim
real(8), allocatable :: temp_mult(:,:,:,:)
real(8), allocatable :: temp_mult(:,:,:,:), mult_num(:,:,:,:), mult_denom(:,:,:,:)
real(8), allocatable :: scatt_coeffs(:,:,:,:,:)
! Set the meta-data
@ -1617,6 +1646,10 @@ module mgxs_header
this % chi = ZERO
allocate(temp_mult(groups,groups,n_azi,n_pol))
temp_mult = ZERO
allocate(mult_num(groups,groups,n_azi,n_pol))
mult_num = ZERO
allocate(mult_denom(groups,groups,n_azi,n_pol))
mult_denom = ZERO
allocate(scatt_coeffs(order_dim,groups,groups,n_azi,n_pol))
scatt_coeffs = ZERO
@ -1647,13 +1680,27 @@ module mgxs_header
end if
! Get the multiplication matrix
! To combine from nuclidic data we need to use the final relationship
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) /
! sum_i(N_i*(nuscatt_{i,g,g'} / mult_{i,g,g'}))
! Developed as follows:
! mult_{gg'} = nuScatt{g,g'} / Scatt{g,g'}
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) / sum(N_i*scatt_{i,g,g'})
! mult_{gg'} = sum_i(N_i*nuscatt_{i,g,g'}) /
! sum_i(N_i*(nuscatt_{i,g,g'} / mult_{i,g,g'}))
! nuscatt_{i,g,g'} can be reconstructed from scatter % energy and
! scatter % scattxs
do ipol = 1, n_pol
do iazi = 1, n_azi
do gin = 1, groups
do gout = nuc % scatter(iazi,ipol) % obj % gmin(gin), &
nuc % scatter(iazi,ipol) % obj % gmax(gin)
temp_mult(gout,gin,iazi,ipol) = temp_mult(gout,gin,iazi,ipol) + &
atom_density * &
nuscatt = nuc % scatter(iazi,ipol) % obj % scattxs(gin) * &
nuc % scatter(iazi,ipol) % obj % energy(gin) % data(gout)
mult_num(gout,gin,iazi,ipol) = mult_num(gout,gin,iazi,ipol) + &
atom_density * nuscatt
mult_denom(gout,gin,iazi,ipol) = mult_denom(gout,gin,iazi,ipol) + &
atom_density * nuscatt / &
nuc % scatter(iazi,ipol) % obj % mult(gin) % data(gout)
end do
end do
@ -1674,6 +1721,21 @@ module mgxs_header
end select
end do
! Obtain temp_mult
do ipol = 1, n_pol
do iazi = 1, n_azi
do gin = 1, groups
do gout = 1, groups
if (mult_denom(gout,gin,iazi,ipol) > ZERO) then
temp_mult(gout,gin,iazi,ipol) = mult_num(gout,gin,iazi,ipol) / mult_denom(gout,gin,iazi,ipol)
else
temp_mult(gout,gin,iazi,ipol) = ONE
end if
end do
end do
end do
end do
! Initialize the ScattData Object
do ipol = 1, n_pol
do iazi = 1, n_azi