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Add temperature range user option to load cross sections within a range of

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temperatures.
This commit is contained in:
Paul Romano 2017-06-22 14:11:33 -05:00
parent efe1457589
commit 6fec79d9c2
8 changed files with 75 additions and 12 deletions
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11
docs/source/io_formats/settings.rst
View file

@ -661,6 +661,17 @@ methods like "nearest" and "interpolation" in the resolved resonance range.
*Default*: False
-------------------------------
``<temperature_range>`` Element
-------------------------------
The ``<temperature_range>`` element specifies a minimum and maximum temperature
in Kelvin above and below which cross sections should be loaded for all nuclides
and thermal scattering tables. This can be used for multi-physics simulations
where the temperatures might change from one iteration to the next.
*Default*: None
.. _temperature_tolerance:
-----------------------------------

23
openmc/settings.py
View file

@ -125,13 +125,16 @@ class Settings(object):
temperature : dict
Defines a default temperature and method for treating intermediate
temperatures at which nuclear data doesn't exist. Accepted keys are
'default', 'method', 'tolerance', and 'multipole'. The value for
'default' should be a float representing the default temperature in
'default', 'method', 'range', 'tolerance', and 'multipole'. The value
for 'default' should be a float representing the default temperature in
Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
If the method is 'nearest', 'tolerance' indicates a range of temperature
within which cross sections may be used. 'multipole' is a boolean
indicating whether or not the windowed multipole method should be used
to evaluate resolved resonance cross sections.
within which cross sections may be used. The value for 'range' should be
a pair a minimum and maximum temperatures which are used to indicate
that cross sections be loaded at all temperatures within the
range. 'multipole' is a boolean indicating whether or not the windowed
multipole method should be used to evaluate resolved resonance cross
sections.
threads : int
Number of OpenMP threads
trace : tuple or list
@ -639,7 +642,8 @@ class Settings(object):
cv.check_type('temperature settings', temperature, Mapping)
for key, value in temperature.items():
cv.check_value('temperature key', key,
['default', 'method', 'tolerance', 'multipole'])
['default', 'method', 'tolerance', 'multipole',
'range'])
if key == 'default':
cv.check_type('default temperature', value, Real)
elif key == 'method':
@ -649,6 +653,11 @@ class Settings(object):
cv.check_type('temperature tolerance', value, Real)
elif key == 'multipole':
cv.check_type('temperature multipole', value, bool)
elif key == 'range':
cv.check_length('temperature range', value, 2)
for T in value:
cv.check_type('temperature', T, Real)
self._temperature = temperature
@threads.setter
@ -999,6 +1008,8 @@ class Settings(object):
"temperature_{}".format(key))
if isinstance(value, bool):
element.text = str(value).lower()
elif key == 'range':
element.text = ' '.join(str(T) for T in value)
else:
element.text = str(value)

1
src/global.F90
View file

@ -106,6 +106,7 @@ module global
logical :: temperature_multipole = .false.
real(8) :: temperature_tolerance = 10.0_8
real(8) :: temperature_default = 293.6_8
real(8) :: temperature_range(2) = [ZERO, ZERO]
! ============================================================================
! MULTI-GROUP CROSS SECTION RELATED VARIABLES

8
src/input_xml.F90
View file

@ -951,6 +951,9 @@ contains
if (check_for_node(root, "temperature_multipole")) then
call get_node_value(root, "temperature_multipole", temperature_multipole)
end if
if (check_for_node(root, "temperature_range")) then
call get_node_array(root, "temperature_range", temperature_range)
end if
! Check for tabular_legendre options
if (check_for_node(root, "tabular_legendre")) then
@ -5273,7 +5276,8 @@ contains
! Read nuclide data from HDF5
group_id = open_group(file_id, name)
call nuclides(i_nuclide) % from_hdf5(group_id, nuc_temps(i_nuclide), &
temperature_method, temperature_tolerance, master)
temperature_method, temperature_tolerance, temperature_range, &
master)
call close_group(group_id)
call file_close(file_id)
@ -5325,7 +5329,7 @@ contains
! Read S(a,b) data from HDF5
group_id = open_group(file_id, name)
call sab_tables(i_sab) % from_hdf5(group_id, sab_temps(i_sab), &
temperature_method, temperature_tolerance)
temperature_method, temperature_tolerance, temperature_range)
call close_group(group_id)
call file_close(file_id)

18
src/nuclide_header.F90
View file

@ -168,12 +168,13 @@ module nuclide_header
end subroutine nuclide_clear
subroutine nuclide_from_hdf5(this, group_id, temperature, method, tolerance, &
master)
minmax, master)
class(Nuclide), intent(inout) :: this
integer(HID_T), intent(in) :: group_id
type(VectorReal), intent(in) :: temperature ! list of desired temperatures
type(VectorReal), intent(in) :: temperature ! list of desired temperatures
integer, intent(inout) :: method
real(8), intent(in) :: tolerance
real(8), intent(in) :: minmax(2) ! range of temperatures
logical, intent(in) :: master ! if this is the master proc
integer :: i
@ -233,7 +234,18 @@ module nuclide_header
method = TEMPERATURE_NEAREST
end if
! Determine actual temperatures to read
! Determine actual temperatures to read -- start by checking whether a
! temperature range was given, in which case all temperatures in the range
! are loaded irrespective of what temperatures actually appear in the model
if (minmax(2) > ZERO) then
do i = 1, size(temps_available)
temp_actual = temps_available(i)
if (minmax(1) <= temp_actual .and. temp_actual <= minmax(2)) then
call temps_to_read % push_back(nint(temp_actual))
end if
end do
end if
select case (method)
case (TEMPERATURE_NEAREST)
! Find nearest temperatures

2
src/relaxng/settings.rnc
View file

@ -116,6 +116,8 @@ element settings {
element temperature_multipole { xsd:boolean }? &
element temperature_range { list { xsd:double, xsd:double } }? &
element temperature_tolerance { xsd:double }? &
element threads { xsd:positiveInteger }? &

8
src/relaxng/settings.rng
View file

@ -517,6 +517,14 @@
<data type="boolean"/>
</element>
</optional>
<optional>
<element name="temperature_range">
<list>
<data type="double"/>
<data type="double"/>
</list>
</element>
</optional>
<optional>
<element name="temperature_tolerance">
<data type="double"/>

16
src/sab_header.F90
View file

@ -80,12 +80,14 @@ module sab_header
contains
subroutine salphabeta_from_hdf5(this, group_id, temperature, method, tolerance)
subroutine salphabeta_from_hdf5(this, group_id, temperature, method, &
tolerance, minmax)
class(SAlphaBeta), intent(inout) :: this
integer(HID_T), intent(in) :: group_id
type(VectorReal), intent(in) :: temperature ! list of temperatures
integer, intent(in) :: method
real(8), intent(in) :: tolerance
real(8), intent(in) :: minmax(2)
integer :: i, j
integer :: t
@ -143,6 +145,18 @@ contains
end do
call sort(temps_available)
! Determine actual temperatures to read -- start by checking whether a
! temperature range was given, in which case all temperatures in the range
! are loaded irrespective of what temperatures actually appear in the model
if (minmax(2) > ZERO) then
do i = 1, size(temps_available)
temp_actual = temps_available(i)
if (minmax(1) <= temp_actual .and. temp_actual <= minmax(2)) then
call temps_to_read % push_back(nint(temp_actual))
end if
end do
end if
select case (method)
case (TEMPERATURE_NEAREST)
! Determine actual temperatures to read