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Changes to modify resonance scattering with 0K data and getting some tests passing

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This commit is contained in:
Adam Nelson 2016-08-23 19:17:42 -04:00
parent 1d551037ce
commit 6ff1d758c3
7 changed files with 21 additions and 37 deletions
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5
openmc/material.py
View file

@ -634,8 +634,9 @@ class Material(object):
element.set("name", str(self._name))
# Create temperature XML subelement
subelement = ET.SubElement(element, "temperature")
subelement.text = self.temperature
if len(self.temperature) > 0:
subelement = ET.SubElement(element, "temperature")
subelement.text = self.temperature
# Create density XML subelement
subelement = ET.SubElement(element, "density")

28
src/input_xml.F90
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@ -1032,23 +1032,6 @@ contains
nuclides_0K(i) % scheme)
end if
! check to make sure xs name for which method is applied is given
if (.not. check_for_node(node_scatterer, "xs_label")) then
call fatal_error("Must specify the temperature dependent name of &
&scatterer " // trim(to_str(i)) &
// " given in cross_sections.xml")
end if
call get_node_value(node_scatterer, "xs_label", &
nuclides_0K(i) % name)
! check to make sure 0K xs name for which method is applied is given
if (.not. check_for_node(node_scatterer, "xs_label_0K")) then
call fatal_error("Must specify the 0K name of scatterer " &
// trim(to_str(i)) // " given in cross_sections.xml")
end if
call get_node_value(node_scatterer, "xs_label_0K", &
nuclides_0K(i) % name_0K)
if (check_for_node(node_scatterer, "E_min")) then
call get_node_value(node_scatterer, "E_min", &
nuclides_0K(i) % E_min)
@ -1073,8 +1056,6 @@ contains
nuclides_0K(i) % nuclide = trim(nuclides_0K(i) % nuclide)
nuclides_0K(i) % scheme = to_lower(trim(nuclides_0K(i) % scheme))
nuclides_0K(i) % name = trim(nuclides_0K(i) % name)
nuclides_0K(i) % name_0K = trim(nuclides_0K(i) % name_0K)
end do
else
call fatal_error("No resonant scatterers are specified within the &
@ -2086,9 +2067,9 @@ contains
! Check that 0K nuclides are listed in the cross_sections.xml file
if (allocated(nuclides_0K)) then
do i = 1, size(nuclides_0K)
if (.not. library_dict % has_key(to_lower(nuclides_0K(i) % name_0K))) then
if (.not. library_dict % has_key(to_lower(nuclides_0K(i) % nuclide))) then
call fatal_error("Could not find resonant scatterer " &
// trim(nuclides_0K(i) % name_0K) &
// trim(nuclides_0K(i) % nuclide) &
// " in cross_sections.xml file!")
end if
end do
@ -5942,16 +5923,15 @@ contains
type(Nuclide) :: resonant_nuc
do i = 1, size(nuclides_0K)
if (nuc % name == nuclides_0K(i) % name) then
if (nuc % name == nuclides_0K(i) % nuclide) then
! Copy basic information from settings.xml
nuc % resonant = .true.
nuc % name_0K = trim(nuclides_0K(i) % name_0K)
nuc % scheme = trim(nuclides_0K(i) % scheme)
nuc % E_min = nuclides_0K(i) % E_min
nuc % E_max = nuclides_0K(i) % E_max
! Get index in libraries array
name = nuc % name_0K
name = nuc % name
i_library = library_dict % get_key(to_lower(name))
call write_message('Reading ' // trim(name) // ' 0K data from ' // &

17
src/nuclide_header.F90
View file

@ -106,10 +106,8 @@ module nuclide_header
!===============================================================================
type Nuclide0K
character(10) :: nuclide ! name of nuclide, e.g. U-238
character(10) :: nuclide ! name of nuclide, e.g. U238
character(16) :: scheme = 'ares' ! target velocity sampling scheme
character(10) :: name ! name of nuclide, e.g. 92235.03c
character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c
real(8) :: E_min = 0.01e-6_8 ! lower cutoff energy for res scattering
real(8) :: E_max = 1000.0e-6_8 ! upper cutoff energy for res scattering
end type Nuclide0K
@ -183,7 +181,7 @@ module nuclide_header
subroutine nuclide_from_hdf5(this, group_id, temperature)
class(Nuclide), intent(inout) :: this
integer(HID_T), intent(in) :: group_id
character(6), intent(in) :: temperature
character(len=*), intent(in) :: temperature
integer :: i
integer :: Z
@ -246,9 +244,14 @@ module nuclide_header
! closest temperature
my_temperature = temperatures(j)
if (temperature /= my_temperature) then
call warning(trim(this % name) // " does not contain data at a &
&temperature of " // trim(temperature) // "; using the &
&nearest available temperature of " // trim(my_temperature))
if (temperature == '0K') then
call fatal_error(trim(this % name) // " does not contain 0K data &
&needed for the resonance scattering options selected")
else
call warning(trim(this % name) // " does not contain data at a &
&temperature of " // trim(temperature) // "; using the &
&nearest available temperature of " // trim(my_temperature))
end if
end if
kT_dset = open_dataset(kT_group, my_temperature)

2
tests/test_multipole/inputs_true.dat
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@ -1 +1 @@
54044104d26e9aa90abcdb62290b598bd6ef0d46c3a9e509726ae7b20a7155471edd3e942b71f07b5c855ac1e451d58913a2f43fa971a8c4d56e569ae3b401ed
2ad86dbb798ab68b45ca535fed3bd848625e0a2b79c68d11db91b14c74b8a48ed4d0129de7e6f6b6b7e9cb47a55d45aadca5ef535dc8a18cb881dddfc74d0bbb

2
tests/test_resonance_scattering/inputs_true.dat
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@ -1 +1 @@
a97844ec7ab45b9e8c1d5849c99414dfa1408956fd951fa783ffa99f78770cd4644a3fb5abe038b0f835ef233ccea2b014e8bd7448f06769944383035ef38ac6
647cb9773dea9e27ec53ecb5029ab983ecc15cdd5d9551185906a61529452f3966e2b72bcf04c6a09f66810c29934357085343ecc3b888268fae85a100a907e3

2
tests/test_triso/inputs_true.dat
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@ -1 +1 @@
c844cc920677037d22e6075780ab3e419f6ded19ea08c6f205df1773caa1a0ee53c605b7794415a24d9f0dbf6bd21d40daa9fcc89497b2abccabb1a6c81a506c
b59af664a4db28471fbf7a19514eb1d61c9c890d2bfa83d23ed186ad0f23d8fa2115fb56c18212476183bcab78622622d8394ba97a19e300e0ed84acecdce3ca

2
tests/test_volume_calc/inputs_true.dat
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@ -1 +1 @@
aeacdb4aabfdfba0ee06cb4e5b21e95c48b1db57cb1301a1798f9b2f37eb56032ea7e94d88d8eacd17988809059b2da2500c2496c2859e5b656b641440545722
8dc4641e35f7770b8297eab9f71080c62a1c9607f36f7671cc61d47e0714887dea2f4c2ee515b23f39c38b1ea256c695d7c4d0ad95f5d7497a52d15f2ead33a5