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Merge remote-tracking branch 'upstream/develop' into multipole

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Sterling Harper 2016-06-15 10:59:18 -05:00
commit 2ea00d23b1
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8
docs/source/io_formats/mgxs_library.rst
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@ -171,9 +171,9 @@ attributes/sub-elements required to describe the meta-data:
provided via the ``scatt_type`` element above, is represented and thus used
during the scattering process. Specifically, the options are to either
convert the Legendre expansion to a tabular representation or leave it as
a set of Legendre coefficients. Converting to a tabular representation will
cost memory but can allow for a decrease in runtime compared to leaving as a
set of Legendre coefficients. This element has the following
a set of Legendre coefficients. Converting to a tabular representation
will cost memory but can allow for a decrease in runtime compared to
leaving as a set of Legendre coefficients. This element has the following
attributes/sub-elements:
:enable:
@ -181,7 +181,7 @@ attributes/sub-elements required to describe the meta-data:
tabular format should be performed or not. A value of "true" means
the conversion should be performed, "false" means it should not.
*Default*: "false"
*Default*: "true"
:num_points:
If the conversion is to take place the number of tabular points is

180
docs/source/pythonapi/examples/mgxs-part-iv.ipynb
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File diff suppressed because one or more lines are too long

65
openmc/mgxs/library.py
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@ -753,7 +753,8 @@ class Library(object):
return pickle.load(open(full_filename, 'rb'))
def get_xsdata(self, domain, xsdata_name, nuclide='total', xs_type='macro',
xs_id='1m', order=None):
xs_id='1m', order=None, tabular_legendre=None,
tabular_points=33):
"""Generates an openmc.XSdata object describing a multi-group cross section
data set for eventual combination in to an openmc.MGXSLibrary object
(i.e., the library).
@ -773,9 +774,22 @@ class Library(object):
nuclide this will be set to 'macro' regardless.
xs_ids : str
Cross section set identifier. Defaults to '1m'.
order : Scattering order for this data entry. Default is None,
order : int
Scattering order for this data entry. Default is None,
which will set the XSdata object to use the order of the
Library.
tabular_legendre : None or bool
Flag to denote whether or not the Legendre expansion of the
scattering angular distribution is to be converted to a tabular
representation by OpenMC. A value of `True` means that it is to be
converted while a value of `False` means that it will not be.
Defaults to `None` which leaves the default behavior of OpenMC in
place (the distribution is converted to a tabular representation).
tabular_points : int
This parameter is not used unless the ``tabular_legendre``
parameter is set to `True`. In this case, this parameter sets the
number of equally-spaced points in the domain of [-1,1] to be used
in building the tabular distribution. Default is `33`.
Returns
-------
@ -804,6 +818,10 @@ class Library(object):
if order is not None:
cv.check_greater_than('order', order, 0, equality=True)
cv.check_less_than('order', order, 10, equality=True)
cv.check_type('tabular_legendre', tabular_legendre,
(type(None), bool))
if tabular_points is not None:
cv.check_greater_than('tabular_points', tabular_points, 1)
# Make sure statepoint has been loaded
if self._sp_filename is None:
@ -830,6 +848,11 @@ class Library(object):
# the provided order or the Library's order.
xsdata.order = min(order, self.legendre_order)
# Set the tabular_legendre option if needed
if tabular_legendre is not None:
xsdata.tabular_legendre = {'enable': tabular_legendre,
'num_points': tabular_points}
if nuclide is not 'total':
xsdata.zaid = self._nuclides[nuclide][0]
xsdata.awr = self._nuclides[nuclide][1]
@ -906,7 +929,8 @@ class Library(object):
return xsdata
def create_mg_library(self, xs_type='macro', xsdata_names=None,
xs_ids=None):
xs_ids=None, tabular_legendre=None,
tabular_points=33):
"""Creates an openmc.MGXSLibrary object to contain the MGXS data for the
Multi-Group mode of OpenMC.
@ -923,6 +947,18 @@ class Library(object):
Cross section set identifier (i.e., '71c') for all
data sets (if only str) or for each individual one
(if iterable of str). Defaults to '1m'.
tabular_legendre : None or bool
Flag to denote whether or not the Legendre expansion of the
scattering angular distribution is to be converted to a tabular
representation by OpenMC. A value of `True` means that it is to be
converted while a value of `False` means that it will not be.
Defaults to `None` which leaves the default behavior of OpenMC in
place (the distribution is converted to a tabular representation).
tabular_points : int
This parameter is not used unless the ``tabular_legendre``
parameter is set to `True`. In this case, this parameter sets the
number of equally-spaced points in the domain of [-1,1] to be used
in building the tabular distribution. Default is `33`.
Returns
-------
@ -983,13 +1019,16 @@ class Library(object):
xsdata_name += '_' + nuclide
xsdata = self.get_xsdata(domain, xsdata_name, nuclide=nuclide,
xs_type=xs_type, xs_id=xs_ids[i])
xs_type=xs_type, xs_id=xs_ids[i],
tabular_legendre=tabular_legendre,
tabular_points=tabular_points)
mgxs_file.add_xsdata(xsdata)
return mgxs_file
def create_mg_mode(self, xsdata_names=None, xs_ids=None):
def create_mg_mode(self, xsdata_names=None, xs_ids=None,
tabular_legendre=None, tabular_points=33):
"""Creates an openmc.MGXSLibrary object to contain the MGXS data for the
Multi-Group mode of OpenMC as well as the associated openmc.Materials
and openmc.Geometry objects. The created Geometry is the same as that
@ -1007,6 +1046,18 @@ class Library(object):
Cross section set identifier (i.e., '71c') for all
data sets (if only str) or for each individual one
(if iterable of str). Defaults to '1m'.
tabular_legendre : None or bool
Flag to denote whether or not the Legendre expansion of the
scattering angular distribution is to be converted to a tabular
representation by OpenMC. A value of `True` means that it is to be
converted while a value of `False` means that it will not be.
Defaults to `None` which leaves the default behavior of OpenMC in
place (the distribution is converted to a tabular representation).
tabular_points : int
This parameter is not used unless the ``tabular_legendre``
parameter is set to `True`. In this case, this parameter sets the
number of equally-spaced points in the domain of [-1,1] to be used
in building the tabular distribution. Default is `33`.
Returns
-------
@ -1071,7 +1122,9 @@ class Library(object):
# Create XSdata and Macroscopic for this domain
xsdata = self.get_xsdata(domain, xsdata_name, nuclide='total',
xs_type=xs_type, xs_id=xs_ids[i])
xs_type=xs_type, xs_id=xs_ids[i],
tabular_legendre=tabular_legendre,
tabular_points=tabular_points)
mgxs_file.add_xsdata(xsdata)
macroscopic = openmc.Macroscopic(name=xsdata_name, xs=xs_ids[i])

2
openmc/mgxs_library.py
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@ -445,7 +445,7 @@ class XSdata(object):
raise ValueError(msg)
if 'num_points' in tabular_legendre:
num_points = tabular_legendre['num_points']
check_value('num_points', num_points, Integral)
check_type('num_points', num_points, Integral)
check_greater_than('num_points', num_points, 0)
else:
if not enable:

10
src/mgxs_header.F90
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@ -387,11 +387,13 @@ module mgxs_header
! Get scattering treatment information
! Tabular_legendre tells us if we are to treat the provided
! Legendre polynomials as tabular data (if enable is true) or leaving
! them as Legendres (if enable is false, or the default)
! Legendre polynomials as tabular data (if enable is true, default)
! or leaving them as Legendres (if enable is false)
! Set the default (leave as Legendre polynomials)
enable_leg_mu = .false.
! Set the default (Convert to tabular format w/ 33 points)
enable_leg_mu = .true.
legendre_mu_points = 33
! Get the user-provided values
if (check_for_node(node_xsdata, "tabular_legendre")) then
call get_node_ptr(node_xsdata, "tabular_legendre", node_legendre_mu)
if (check_for_node(node_legendre_mu, "enable")) then

22
src/scattdata_header.F90
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@ -398,29 +398,18 @@ contains
end do
! Re-normalize fmu for numerical integration issues and in case
! the negative fix-up introduced un-normalized data
! the negative fix-up introduced un-normalized data while
! accruing the CDF
norm = ZERO
do imu = 2, order
norm = norm + HALF * this % dmu * &
(this % fmu(gin) % data(imu - 1, gout) + &
this % fmu(gin) % data(imu, gout))
this % dist(gin) % data(imu, gout) = norm
end do
if (norm > ZERO) then
this % fmu(gin) % data(:, gout) = &
this % fmu(gin) % data(:, gout) / norm
end if
! Now create CDF from fmu with trapezoidal rule
this % dist(gin) % data(1, gout) = ZERO
do imu = 2, order
this % dist(gin) % data(imu, gout) = &
this % dist(gin) % data(imu - 1, gout) + &
HALF * this % dmu * (this % fmu(gin) % data(imu - 1, gout) + &
this % fmu(gin) % data(imu, gout))
end do
! Ensure we normalize to 1 still
norm = this % dist(gin) % data(order, gout)
if (norm > ZERO) then
this % dist(gin) % data(:, gout) = &
this % dist(gin) % data(:, gout) / norm
end if
@ -628,11 +617,10 @@ contains
p1 = this % fmu(gin) % data(k + 1, gout)
mu1 = this % mu(k + 1)
frac = (p1 - p0) / (mu1 - mu0)
if (frac == ZERO) then
if (p0 == p1) then
mu = mu0 + (xi - c_k) / p0
else
frac = (p1 - p0) / (mu1 - mu0)
mu = mu0 + &
(sqrt(max(ZERO, p0 * p0 + TWO * frac * (xi - c_k))) - p0) / frac
end if

2
src/tally.F90
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@ -107,8 +107,6 @@ contains
real(8) :: atom_density_ ! atom/b-cm
real(8) :: f ! interpolation factor
real(8) :: score ! analog tally score
real(8) :: macro_total ! material macro total xs
real(8) :: macro_scatt ! material macro scatt xs
real(8) :: E ! particle energy
i = 0

2
tests/test_mg_basic/results_true.dat
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@ -1,2 +1,2 @@
k-combined:
1.033731E+00 4.974463E-02
1.047136E+00 2.765964E-02

2
tests/test_mg_max_order/results_true.dat
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@ -1,2 +1,2 @@
k-combined:
1.055274E+00 1.715904E-02
1.102093E+00 4.962190E-02

2
tests/test_mg_nuclide/results_true.dat
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@ -1,2 +1,2 @@
k-combined:
1.033731E+00 4.974463E-02
1.047136E+00 2.765964E-02

1306
tests/test_mg_tallies/results_true.dat
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File diff suppressed because it is too large Load diff

2
tests/test_mgxs_library_ce_to_mg/results_true.dat
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@ -1,2 +1,2 @@
k-combined:
1.094839E+00 1.203524E-02
1.140804E+00 2.937150E-02