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Removed atom_percent attribute from Material derived type.

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Paul Romano 2012-07-01 15:55:37 -04:00
parent 826f6b83c3
commit 06254d1a48
3 changed files with 12 additions and 16 deletions
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16
src/initialize.F90
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@ -608,7 +608,7 @@ contains
do i = 1, n_materials
mat => materials(i)
percent_in_atom = (mat % atom_percent(1) > ZERO)
percent_in_atom = (mat % atom_density(1) > ZERO)
density_in_atom = (mat % density > ZERO)
sum_percent = ZERO
@ -621,15 +621,15 @@ contains
! by awr. thus, when a sum is done over the values, it's actually
! sum(w/awr)
if (.not. percent_in_atom) then
mat % atom_percent(j) = -mat % atom_percent(j) / awr
mat % atom_density(j) = -mat % atom_density(j) / awr
end if
end do
! determine normalized atom percents. if given atom percents, this is
! straightforward. if given weight percents, the value is w/awr and is
! divided by sum(w/awr)
sum_percent = sum(mat % atom_percent)
mat % atom_percent = mat % atom_percent / sum_percent
sum_percent = sum(mat % atom_density)
mat % atom_density = mat % atom_density / sum_percent
! Change density in g/cm^3 to atom/b-cm. Since all values are now in atom
! percent, the sum needs to be re-evaluated as 1/sum(x*awr)
@ -638,7 +638,7 @@ contains
do j = 1, mat % n_nuclides
index_list = dict_get_key(xs_listing_dict, mat % names(j))
awr = xs_listings(index_list) % awr
x = mat % atom_percent(j)
x = mat % atom_density(j)
sum_percent = sum_percent + x*awr
end do
sum_percent = ONE / sum_percent
@ -646,10 +646,8 @@ contains
/ MASS_NEUTRON * sum_percent
end if
! Calculate nuclide atom densities and deallocate atom_percent array
! since it is no longer needed past this point
mat % atom_density = mat % density * mat % atom_percent
deallocate(mat % atom_percent)
! Calculate nuclide atom densities
mat % atom_density = mat % density * mat % atom_density
end do
end subroutine normalize_ao

11
src/input_xml.F90
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@ -720,7 +720,6 @@ contains
allocate(mat % names(n))
allocate(mat % nuclide(n))
allocate(mat % atom_density(n))
allocate(mat % atom_percent(n))
do j = 1, mat % n_nuclides
! Combine nuclide identifier and cross section and copy into names
@ -777,23 +776,23 @@ contains
! Copy atom/weight percents
if (nuc % ao /= ZERO) then
mat % atom_percent(j) = nuc % ao
mat % atom_density(j) = nuc % ao
else
mat % atom_percent(j) = -nuc % wo
mat % atom_density(j) = -nuc % wo
end if
end do
! Check to make sure either all atom percents or all weight percents are
! given
if (.not. (all(mat % atom_percent > ZERO) .or. &
all(mat % atom_percent < ZERO))) then
if (.not. (all(mat % atom_density > ZERO) .or. &
all(mat % atom_density < ZERO))) then
message = "Cannot mix atom and weight percents in material " // &
to_str(mat % id)
call fatal_error()
end if
! Determine density if it is a sum value
if (sum_density) mat % density = sum(mat % atom_percent)
if (sum_density) mat % density = sum(mat % atom_density)
! =======================================================================
! READ AND PARSE <sab> TAG FOR S(a,b) DATA

1
src/material_header.F90
View file

@ -13,7 +13,6 @@ module material_header
integer, allocatable :: nuclide(:) ! index in nuclides array
real(8) :: density ! total atom density in atom/b-cm
real(8), allocatable :: atom_density(:) ! nuclide atom density in atom/b-cm
real(8), allocatable :: atom_percent(:) ! atom/weight percent (negative for weight)
! S(a,b) data references
logical :: has_sab_table = .false.