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changed wording of isotope to nuclide in input_xml.F90

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This commit is contained in:
Sam Shaner 2016-10-17 17:42:15 -04:00
parent ed36d06fdb
commit 36817319d4
1 changed files with 22 additions and 22 deletions
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44
src/input_xml.F90
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@ -2127,7 +2127,7 @@ contains
integer :: index_nuclide ! index in nuclides
integer :: index_sab ! index in sab_tables
logical :: file_exists ! does materials.xml exist?
character(20) :: name ! name of isotope, e.g. 92235.03c
character(20) :: name ! name of nuclide, e.g. 92235.03c
character(MAX_LINE_LEN) :: filename ! absolute path to materials.xml
character(MAX_LINE_LEN) :: temp_str ! temporary string when reading
type(VectorChar) :: names ! temporary list of nuclide names
@ -2314,7 +2314,7 @@ contains
! Get current number of nuclides
n_nuc_ele = names % size()
! Expand element into naturally-occurring isotopes
! Expand element into naturally-occurring nuclides
call expand_natural_element_names(name, names)
! Compute number of new nuclides from the natural element expansion
@ -4576,7 +4576,7 @@ contains
! EXPAND_NATURAL_ELEMENT_NAMES converts natural elements specified using an
! <element> tag within a material and adds the names to the input names array.
! In some cases, modifications have been made to work with ENDF/B-VII.1 where
! evaluations of particular isotopes don't exist.
! evaluations of particular nuclides don't exist.
!===============================================================================
subroutine expand_natural_element_names(name, names)
@ -4650,10 +4650,10 @@ contains
!===============================================================================
! EXPAND_NATURAL_ELEMENT_DENSITIES converts natural elements specified using an
! <element> tag within a material into individual isotopes based on IUPAC
! <element> tag within a material into individual nuclides based on IUPAC
! Isotopic Compositions of the Elements 2009 (doi:10.1351/PAC-REP-10-06-02). In
! some cases, modifications have been made to work with ENDF/B-VII.1 where
! evaluations of particular isotopes don't exist.
! evaluations of particular nuclides don't exist.
!===============================================================================
subroutine expand_natural_element_densities(name, expand_by, density, &
@ -4662,17 +4662,17 @@ contains
character(*), intent(in) :: expand_by ! "ao" or "wo"
real(8), intent(in) :: density ! value for "ao" or "wo"
real(8), intent(in) :: enrichment ! enrichment in weight %
type(VectorReal), intent(inout) :: densities ! isotope densities vector
type(VectorReal), intent(inout) :: densities ! nuclide densities vector
integer :: i ! iterators
integer :: n_isotopes ! number of isotopes in the element
integer :: n_nuclides ! number of nuclides in the element
integer :: natural_elements_loc ! location in global array
integer :: nuclide_start ! ending nuclide in global array
integer :: nuclide_end ! starting nuclide in global array
character(2) :: element_name ! element atomic symbol
real(8) :: element_awr ! element atomic weight ratio
real(8), allocatable :: awr(:) ! isotope atomic weight ratios
real(8), allocatable :: mf(:) ! isotope mole fractions
real(8), allocatable :: awr(:) ! nuclide atomic weight ratios
real(8), allocatable :: mf(:) ! nuclide mole fractions
element_name = to_lower(name(1:2))
@ -4725,15 +4725,15 @@ contains
end select
! Set the number of isotopes in this element
n_isotopes = nuclide_end - nuclide_start
! Set the number of nuclides in this element
n_nuclides = nuclide_end - nuclide_start
! Allocate and initialize array for the atomic weight ratios
allocate(awr(n_isotopes))
allocate(awr(n_nuclides))
awr = ONE
! Allocate and initialize array for mole fractions
allocate(mf(n_isotopes))
allocate(mf(n_nuclides))
! Add the nuclide names to the names array
do i = nuclide_start, nuclide_end-1
@ -4751,19 +4751,19 @@ contains
! Modify mole fractions if enrichment provided
if (enrichment /= -ONE .and. element_name == 'u') then
! Calculate the mass fractions of isotopes
! Calculate the mass fractions of nuclides
mf(1) = 0.008 * enrichment
mf(2) = enrichment
mf(3) = 1.0 - 1.008 * enrichment
! Convert the mass fractions to mole fractions
do i = 1, n_isotopes
do i = 1, n_nuclides
mf(i) = mf(i) / awr(i)
end do
! Normalize the mole fractions to ONE
element_awr = sum(mf(:))
do i = 1, n_isotopes
do i = 1, n_nuclides
mf(i) = mf(i) / element_awr
end do
end if
@ -4774,18 +4774,18 @@ contains
! Compute the element awr
element_awr = ZERO
do i = 1, n_isotopes
do i = 1, n_nuclides
element_awr = element_awr + awr(i) * mf(i)
end do
! Normalize the awr to the element awr
do i = 1, n_isotopes
do i = 1, n_nuclides
awr(i) = awr(i) / element_awr
end do
end if
! Add the densities to the master array
do i = 1, n_isotopes
do i = 1, n_nuclides
call densities % push_back(density * mf(i) * awr(i))
end do
@ -4895,7 +4895,7 @@ contains
logical :: percent_in_atom ! nuclides specified in atom percent?
logical :: density_in_atom ! density specified in atom/b-cm?
logical :: file_exists ! does materials.xml exist?
character(20) :: name ! name of isotope, e.g. 92235.03c
character(20) :: name ! name of nuclide, e.g. 92235.03c
character(MAX_WORD_LEN) :: units ! units on density
character(MAX_LINE_LEN) :: filename ! materials.xml filename
real(8) :: val ! value entered for density
@ -5047,7 +5047,7 @@ contains
! If enrichment was provided, issue error
if (check_for_node(node_nuc, "enrichment")) then
call fatal_error("Cannot specify an enrichment for an isotope")
call fatal_error("Cannot specify an enrichment for a nuclide")
end if
! Copy atom/weight percents
@ -5103,7 +5103,7 @@ contains
enrichment = -ONE
end if
! Expand element into naturally-occurring isotopes
! Expand element into naturally-occurring nuclides
if (check_for_node(node_ele, "ao")) then
call get_node_value(node_ele, "ao", temp_dble)
call expand_natural_element_densities(name, "ao", temp_dble, &