mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-28 14:15:42 -04:00
Removed unused variables, cleaned up other code base, fixed all the bugs (seems to work now!), set default MGXS library temperature (via the API) to 294K to be consistent with the default w/in OpenMC. Looking good folks. Next up is re-implementing the user-facing option for converting Legendre to tabular (it shouldnt be in the library like it was before), implementing a script to convert from xml to h5, and switching the library format to use sparse scattering matrices instead of dense
This commit is contained in:
Adam Nelson
parent
aeb7f0c787
commit
7e5326d705
7 changed files with 108 additions and 89 deletions
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@ -288,9 +288,12 @@ class Mesh(object):
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openmc.YPlane(y0=self.upper_right[1],
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boundary_type=bc[3])]
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if twod:
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zplanes = [openmc.ZPlane(z0=np.finfo(np.float).min,
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# Would prefer to have the z ranges be the max supported float, but
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# these values are apparently different between python and Fortran.
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# Choosing a safe and sane default.
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zplanes = [openmc.ZPlane(z0=-1000.,
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boundary_type='reflective'),
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openmc.ZPlane(z0=np.finfo(np.float).max,
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openmc.ZPlane(z0=1000.,
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boundary_type='reflective')]
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else:
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zplanes = [openmc.ZPlane(z0=self.lower_left[2],
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@ -907,8 +907,11 @@ class Library(object):
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# the provided order or the Library's order.
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xsdata.order = min(order, self.legendre_order)
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# Right now only 'legendre' data and isotropic weighting is supported
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self.scatter_type = 'legendre'
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self.representation = 'isotropic'
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if nuclide is not 'total':
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xsdata.zaid = self._nuclides[nuclide][0]
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xsdata.awr = self._nuclides[nuclide][1]
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if subdomain is None:
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@ -20,13 +20,7 @@ _SCATTER_TYPE_TABULAR = 3
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_SCATTER_TYPE_LEGENDRE = 4
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_SCATTER_TYPE_HISTOGRAM = 5
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_REPRESENTATIONS = ['isotropic', 'angle']
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_REPRESENTATIONS_TEXT = {'isotropic': _REPRESENTATION_ISOTROPIC,
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'angle': _REPRESENTATION_ANGLE}
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_SCATTER_TYPES = ['tabular', 'legendre', 'histogram']
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_SCATTER_TYPES_TEXT = {'tabular': _SCATTER_TYPE_TABULAR,
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'legendre': _SCATTER_TYPE_LEGENDRE,
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'histogram': _SCATTER_TYPE_HISTOGRAM}
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class XSdata(object):
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"""A multi-group cross section data set providing all the
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@ -43,7 +37,7 @@ class XSdata(object):
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weighting). Defaults to 'isotropic'
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temperatures : numpy.ndarray
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Temperatures (in units of Kelvin) of the provided datasets. Defaults
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to a single temperature at 300K.
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to a single temperature at 294K.
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Attributes
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----------
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@ -54,7 +48,7 @@ class XSdata(object):
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of the isotope to the mass of a single neutron.
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temperatures : numpy.ndarray
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Temperatures (in units of Kelvin) of the provided datasets. Defaults
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to a single temperature at 300K.
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to a single temperature at 294K.
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energy_groups : openmc.mgxs.EnergyGroups
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Energy group structure
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fissionable : bool
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@ -164,7 +158,7 @@ class XSdata(object):
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"""
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def __init__(self, name, energy_groups, temperatures=[300.],
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def __init__(self, name, energy_groups, temperatures=[294.],
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representation='isotropic'):
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# Initialize class attributes
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self.name = name
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@ -377,7 +371,7 @@ class XSdata(object):
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check_type('use_chi', use_chi, bool)
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self._use_chi = use_chi
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def set_total(self, total, temperature=300.):
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def set_total(self, total, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -387,7 +381,7 @@ class XSdata(object):
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Total Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -405,7 +399,7 @@ class XSdata(object):
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i = self.temperatures.tolist().index(temperature)
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self._total[i] = nptotal
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def set_absorption(self, absorption, temperature=300.):
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def set_absorption(self, absorption, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -415,7 +409,7 @@ class XSdata(object):
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Absorption Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -434,7 +428,7 @@ class XSdata(object):
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i = self.temperatures.tolist().index(temperature)
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self._absorption[i] = npabsorption
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def set_fission(self, fission, temperature=300.):
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def set_fission(self, fission, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -444,7 +438,7 @@ class XSdata(object):
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Fission Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -465,7 +459,7 @@ class XSdata(object):
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if np.sum(npfission) > 0.0:
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self._fissionable = True
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def set_kappa_fission(self, kappa_fission, temperature=300.):
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def set_kappa_fission(self, kappa_fission, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -475,7 +469,7 @@ class XSdata(object):
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Kappa-Fission Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -498,7 +492,7 @@ class XSdata(object):
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if np.sum(npkappa_fission) > 0.0:
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self._fissionable = True
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def set_chi(self, chi, temperature=300.):
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def set_chi(self, chi, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -508,7 +502,7 @@ class XSdata(object):
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Fission Spectrum
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -538,7 +532,7 @@ class XSdata(object):
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if self.use_chi is not None:
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self.use_chi = True
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def set_scatter_matrix(self, scatter, temperature=300.):
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def set_scatter_matrix(self, scatter, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -548,7 +542,7 @@ class XSdata(object):
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Scattering Matrix Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -567,7 +561,7 @@ class XSdata(object):
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i = self.temperatures.tolist().index(temperature)
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self._scatter_matrix[i] = npscatter
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def set_multiplicity_matrix(self, multiplicity, temperature=300.):
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def set_multiplicity_matrix(self, multiplicity, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -577,7 +571,7 @@ class XSdata(object):
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Multiplicity Matrix Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -597,7 +591,7 @@ class XSdata(object):
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i = self.temperatures.tolist().index(temperature)
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self._multiplicity_matrix[i] = npmultiplicity
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def set_nu_fission(self, nu_fission, temperature=300.):
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def set_nu_fission(self, nu_fission, temperature=294.):
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"""This method sets the cross section for this XSdata object at the
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provided temperature.
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@ -607,7 +601,7 @@ class XSdata(object):
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Nu-fission Cross Section
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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See also
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--------
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@ -655,7 +649,7 @@ class XSdata(object):
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if np.sum(npnu_fission) > 0.0:
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self._fissionable = True
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def set_total_mgxs(self, total, temperature=300., nuclide='total',
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def set_total_mgxs(self, total, temperature=294., nuclide='total',
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xs_type='macro', subdomain=None):
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"""This method allows for an openmc.mgxs.TotalXS or
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openmc.mgxs.TransportXS to be used to set the total cross section
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@ -668,7 +662,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -702,7 +696,7 @@ class XSdata(object):
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msg = 'Angular-Dependent MGXS have not yet been implemented'
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raise ValueError(msg)
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def set_absorption_mgxs(self, absorption, temperature=300.,
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def set_absorption_mgxs(self, absorption, temperature=294.,
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nuclide='total', xs_type='macro', subdomain=None):
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"""This method allows for an openmc.mgxs.AbsorptionXS
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to be used to set the absorption cross section for this XSdata object.
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@ -714,7 +708,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -749,7 +743,7 @@ class XSdata(object):
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msg = 'Angular-Dependent MGXS have not yet been implemented'
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raise ValueError(msg)
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def set_fission_mgxs(self, fission, temperature=300., nuclide='total',
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def set_fission_mgxs(self, fission, temperature=294., nuclide='total',
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xs_type='macro', subdomain=None):
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"""This method allows for an openmc.mgxs.FissionXS
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to be used to set the fission cross section for this XSdata object.
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@ -761,7 +755,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -796,7 +790,7 @@ class XSdata(object):
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msg = 'Angular-Dependent MGXS have not yet been implemented'
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raise ValueError(msg)
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def set_nu_fission_mgxs(self, nu_fission, temperature=300.,
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def set_nu_fission_mgxs(self, nu_fission, temperature=294.,
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nuclide='total', xs_type='macro', subdomain=None):
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"""This method allows for an openmc.mgxs.NuFissionXS
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to be used to set the nu-fission cross section for this XSdata object.
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@ -808,7 +802,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -852,7 +846,7 @@ class XSdata(object):
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if np.sum(self._nu_fission) > 0.0:
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self._fissionable = True
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def set_kappa_fission_mgxs(self, k_fission, temperature=300.,
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def set_kappa_fission_mgxs(self, k_fission, temperature=294.,
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nuclide='total', xs_type='macro',
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subdomain=None):
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"""This method allows for an openmc.mgxs.KappaFissionXS
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@ -866,7 +860,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -901,7 +895,7 @@ class XSdata(object):
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msg = 'Angular-Dependent MGXS have not yet been implemented'
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raise ValueError(msg)
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def set_chi_mgxs(self, chi, temperature=300., nuclide='total',
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def set_chi_mgxs(self, chi, temperature=294., nuclide='total',
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xs_type='macro', subdomain=None):
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"""This method allows for an openmc.mgxs.Chi
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to be used to set chi for this XSdata object.
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@ -912,7 +906,7 @@ class XSdata(object):
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MGXS Object containing chi for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -954,7 +948,7 @@ class XSdata(object):
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if self.use_chi is not None:
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self.use_chi = True
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def set_scatter_matrix_mgxs(self, scatter, temperature=300.,
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def set_scatter_matrix_mgxs(self, scatter, temperature=294.,
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nuclide='total', xs_type='macro',
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subdomain=None):
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"""This method allows for an openmc.mgxs.ScatterMatrixXS
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@ -969,7 +963,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -1027,7 +1021,7 @@ class XSdata(object):
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raise ValueError(msg)
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def set_multiplicity_matrix_mgxs(self, nuscatter, scatter=None,
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temperature=300., nuclide='total',
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temperature=294., nuclide='total',
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xs_type='macro', subdomain=None):
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"""This method allows for either the direct use of only an
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openmc.mgxs.MultiplicityMatrixXS OR
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@ -1050,7 +1044,7 @@ class XSdata(object):
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for the domain of interest.
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temperature : float
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Temperature (in units of Kelvin) of the provided dataset. Defaults
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to 300K
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to 294K
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nuclide : str
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Individual nuclide (or 'total' if obtaining material-wise data)
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to gather data for. Defaults to 'total'.
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@ -1119,22 +1113,26 @@ class XSdata(object):
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if self.fissionable is not None:
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grp.attrs['fissionable'] = self.fissionable
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if self.representation is not None:
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grp.attrs['representation'] = \
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np.string_(_REPRESENTATIONS_TEXT[self.representation])
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grp.attrs['representation'] = np.string_(self.representation)
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if self.representation == 'angle':
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if self.num_azimuthal is not None:
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grp.attrs['num-azimuthal'] = self.num_azimuthal
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if self.num_polar is not None:
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grp.attrs['num-polar'] = self.num_polar
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if self.scatter_type is not None:
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grp.attrs['scatter-type'] = \
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np.string_(_SCATTER_TYPES_TEXT[self.scatter_type])
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grp.attrs['scatter-type'] = np.string_(self.scatter_type)
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if self.order is not None:
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grp.attrs['order'] = self.order
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ktg = grp.create_group('kTs')
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for temperature in self.temperatures:
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temp_label = str(int(np.round(temperature))) + "K"
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kT = temperature * openmc.data.K_BOLTZMANN
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ktg.create_dataset(temp_label, data=kT)
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# Create the temperature datasets
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for i, temperature in enumerate(self.temperatures):
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xsgrp = grp.create_group(str(np.round(temperature)) + "K")
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xsgrp = grp.create_group(str(int(np.round(temperature))) + "K")
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if self._total[i] is not None:
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xsgrp.create_dataset("total", data=self._total[i],
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compression=compression)
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@ -16,6 +16,7 @@ module input_xml
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use hdf5_interface
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use list_header, only: ListChar, ListInt, ListReal
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use mesh_header, only: RegularMesh
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use mgxs_data, only: create_macro_xs, read_mgxs
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use multipole, only: multipole_read
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use output, only: write_message
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use plot_header
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@ -1,6 +1,7 @@
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module mgxs_data
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use constants
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use algorithm, only: find
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use error, only: fatal_error
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use global
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use hdf5
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@ -28,6 +29,7 @@ contains
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integer :: i_nuclide ! index in nuclides array
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character(20) :: name ! name of library to load
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integer :: representation ! Data representation
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character(MAX_LINE_LEN) :: temp_str
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type(Material), pointer :: mat
|
||||
type(SetChar) :: already_read
|
||||
integer(HID_T) :: file_id
|
||||
|
|
@ -99,9 +101,12 @@ contains
|
|||
|
||||
! First find out the data representation
|
||||
if (check_attribute(xsdata_group, "representation")) then
|
||||
call read_attribute(representation, xsdata_group, "representation")
|
||||
if (representation /= MGXS_ISOTROPIC .and. &
|
||||
representation /= MGXS_ANGLE) then
|
||||
call read_attribute(temp_str, xsdata_group, "representation")
|
||||
if (trim(temp_str) == 'isotropic') then
|
||||
representation = MGXS_ISOTROPIC
|
||||
else if (trim(temp_str) == 'angle') then
|
||||
representation = MGXS_ANGLE
|
||||
else
|
||||
call fatal_error("Invalid Data Representation!")
|
||||
end if
|
||||
else
|
||||
|
|
@ -179,7 +184,9 @@ contains
|
|||
allocate(MgxsAngle :: macro_xs(i_mat) % obj)
|
||||
end select
|
||||
call macro_xs(i_mat) % obj % combine(kTs(i_mat), mat, nuclides_MG, &
|
||||
energy_groups, max_order)
|
||||
energy_groups, max_order, &
|
||||
temperature_tolerance, &
|
||||
temperature_method)
|
||||
end do
|
||||
end subroutine create_macro_xs
|
||||
|
||||
|
|
|
|||
|
|
@ -6,6 +6,7 @@ module mgxs_header
|
|||
use hdf5, only: HID_T, HSIZE_T, SIZE_T, h5iget_name_f
|
||||
use h5lt, only: h5ltpath_valid_f
|
||||
|
||||
use algorithm, only: find, sort
|
||||
use constants, only: MAX_FILE_LEN, ZERO, ONE, TWO, PI
|
||||
use error, only: fatal_error
|
||||
use hdf5_interface
|
||||
|
|
@ -100,7 +101,8 @@ module mgxs_header
|
|||
integer, intent(in) :: max_order ! Maximum requested order
|
||||
end subroutine mgxs_from_hdf5_
|
||||
|
||||
subroutine mgxs_combine_(this, temps, mat, nuclides, groups, max_order)
|
||||
subroutine mgxs_combine_(this, temps, mat, nuclides, groups, max_order, &
|
||||
tolerance, method)
|
||||
import Mgxs, Material, MgxsContainer, VectorReal
|
||||
class(Mgxs), intent(inout) :: this ! The Mgxs to initialize
|
||||
type(VectorReal), intent(in) :: temps ! Temperatures to obtain
|
||||
|
|
@ -108,6 +110,8 @@ module mgxs_header
|
|||
type(MgxsContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
|
||||
integer, intent(in) :: groups ! Number of E groups
|
||||
integer, intent(in) :: max_order ! Maximum requested order
|
||||
real(8), intent(in) :: tolerance ! Tolerance on method
|
||||
integer, intent(in) :: method ! Type of temperature access
|
||||
end subroutine mgxs_combine_
|
||||
|
||||
pure function mgxs_get_xs_(this, xstype, gin, gout, uvw, mu) result(xs_val)
|
||||
|
|
@ -206,12 +210,11 @@ module mgxs_header
|
|||
|
||||
integer :: hdf5_err
|
||||
integer(SIZE_T) :: name_len, name_file_len
|
||||
integer(HID_T) :: kT_group, kT_dset
|
||||
integer(HID_T) :: kT_group
|
||||
character(MAX_FILE_LEN), allocatable :: dset_names(:)
|
||||
real(8), allocatable :: temps_available(:) ! temperatures available
|
||||
real(8) :: temp_desired
|
||||
real(8) :: temp_actual
|
||||
logical :: exists
|
||||
character(MAX_WORD_LEN) :: temp_str
|
||||
real(8) :: dangle
|
||||
integer :: ipol, iazi
|
||||
|
|
@ -236,6 +239,7 @@ module mgxs_header
|
|||
do i = 1, size(dset_names)
|
||||
! Read temperature value
|
||||
call read_dataset(temps_available(i), kT_group, trim(dset_names(i)))
|
||||
! Convert MeV to Kelvin
|
||||
temps_available(i) = temps_available(i) / K_BOLTZMANN
|
||||
end do
|
||||
|
||||
|
|
@ -377,7 +381,7 @@ module mgxs_header
|
|||
real(8), allocatable :: input_scatt(:, :, :)
|
||||
real(8), allocatable :: temp_scatt(:, :, :)
|
||||
real(8) :: dmu, mu, norm
|
||||
integer :: order, order_dim, gin, gout, l, arr_len
|
||||
integer :: order, order_dim, gin, gout, l
|
||||
integer :: legendre_mu_points, imu
|
||||
type(VectorInt) :: temps_to_read
|
||||
integer :: t
|
||||
|
|
@ -387,12 +391,13 @@ module mgxs_header
|
|||
temps_to_read, order_dim)
|
||||
!!!TODO: Fix
|
||||
enable_leg_mu = .True.
|
||||
legendre_mu_points = 33
|
||||
|
||||
! Load the more specific data
|
||||
do t = 1, temps_to_read % size()
|
||||
associate(xs => this % xs(t))
|
||||
! Get temperature as a string
|
||||
temp_str = trim(to_str(temps_to_read % data(i))) // "K"
|
||||
temp_str = trim(to_str(temps_to_read % data(t))) // "K"
|
||||
xsdata_grp = open_group(xs_id, trim(temp_str))
|
||||
if (this % fissionable) then
|
||||
allocate(xs % nu_fission(groups))
|
||||
|
|
@ -619,8 +624,8 @@ module mgxs_header
|
|||
real(8), allocatable :: scatt_coeffs(:, :, :, :, :)
|
||||
real(8), allocatable :: input_scatt(:, :, :, :, :)
|
||||
real(8), allocatable :: temp_scatt(:, :, :, :, :)
|
||||
real(8) :: dmu, mu, norm, dangle
|
||||
integer :: order, order_dim, gin, gout, l, arr_len
|
||||
real(8) :: dmu, mu, norm
|
||||
integer :: order, order_dim, gin, gout, l
|
||||
integer :: legendre_mu_points, imu, ipol, iazi
|
||||
type(VectorInt) :: temps_to_read
|
||||
integer :: t
|
||||
|
|
@ -630,12 +635,13 @@ module mgxs_header
|
|||
temps_to_read, order_dim)
|
||||
!!!TODO: Fix
|
||||
enable_leg_mu = .True.
|
||||
legendre_mu_points = 33
|
||||
|
||||
! Load the more specific data
|
||||
do t = 1, temps_to_read % size()
|
||||
associate(xs => this % xs(t))
|
||||
! Get temperature as a string
|
||||
temp_str = trim(to_str(temps_to_read % data(i))) // "K"
|
||||
temp_str = trim(to_str(temps_to_read % data(t))) // "K"
|
||||
xsdata_grp = open_group(xs_id, trim(temp_str))
|
||||
if (this % fissionable) then
|
||||
if (check_dataset(xsdata_grp, "chi")) then
|
||||
|
|
@ -899,16 +905,17 @@ module mgxs_header
|
|||
! MGXS*_COMBINE Builds a macroscopic Mgxs object from microscopic Mgxs objects
|
||||
!===============================================================================
|
||||
|
||||
subroutine mgxs_combine(this, temps, mat, nuclides, scatter_type, order_dim)
|
||||
subroutine mgxs_combine(this, temps, mat, nuclides, max_order, &
|
||||
scatter_type, order_dim)
|
||||
class(Mgxs), intent(inout) :: this ! The Mgxs to initialize
|
||||
type(VectorReal), intent(in) :: temps ! Temperatures to obtain
|
||||
type(Material), pointer, intent(in) :: mat ! base material
|
||||
type(MgxsContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
|
||||
integer, intent(in) :: max_order ! Maximum requested order
|
||||
integer, intent(out) :: scatter_type ! Type of scatter
|
||||
integer, intent(out) :: order_dim ! Scattering data order size
|
||||
|
||||
integer :: t, mat_max_order, max_order, order, n_pol, n_azi
|
||||
real(8) :: dangle
|
||||
integer :: t, mat_max_order, order
|
||||
|
||||
! Fill in meta-data from material information
|
||||
if (mat % name == "") then
|
||||
|
|
@ -924,7 +931,7 @@ module mgxs_header
|
|||
|
||||
allocate(this % kTs(temps % size()))
|
||||
do t = 1, temps % size()
|
||||
this % kTs(t) = temps % data(i)
|
||||
this % kTs(t) = temps % data(t)
|
||||
end do
|
||||
|
||||
! Allocate the XS object for the number of temperatures
|
||||
|
|
@ -1004,20 +1011,23 @@ module mgxs_header
|
|||
|
||||
end subroutine mgxs_combine
|
||||
|
||||
subroutine mgxsiso_combine(this, temps, mat, nuclides, groups, max_order)
|
||||
subroutine mgxsiso_combine(this, temps, mat, nuclides, groups, max_order, &
|
||||
tolerance, method)
|
||||
class(MgxsIso), intent(inout) :: this ! The Mgxs to initialize
|
||||
type(VectorReal), intent(in) :: temps ! Temperatures to obtain [MeV]
|
||||
type(Material), pointer, intent(in) :: mat ! base material
|
||||
type(MgxsContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
|
||||
integer, intent(in) :: groups ! Number of E groups
|
||||
integer, intent(in) :: max_order ! Maximum requested order
|
||||
real(8), intent(in) :: tolerance ! Tolerance on method
|
||||
integer, intent(in) :: method ! Type of temperature access
|
||||
|
||||
integer :: i ! loop index over nuclides
|
||||
integer :: t ! Index in to temps
|
||||
integer :: gin, gout ! group indices
|
||||
real(8) :: atom_density ! atom density of a nuclide
|
||||
real(8) :: norm, nuscatt
|
||||
integer :: mat_max_order, order, order_dim, nuc_order_dim
|
||||
integer :: order_dim, nuc_order_dim
|
||||
real(8), allocatable :: temp_mult(:, :), mult_num(:, :), mult_denom(:, :)
|
||||
real(8), allocatable :: scatt_coeffs(:, :, :)
|
||||
integer :: nuc_t
|
||||
|
|
@ -1025,7 +1035,8 @@ module mgxs_header
|
|||
integer :: scatter_type
|
||||
|
||||
! Set the meta-data
|
||||
call mgxs_combine(this, temps, mat, nuclides, scatter_type, order_dim)
|
||||
call mgxs_combine(this, temps, mat, nuclides, max_order, scatter_type, &
|
||||
order_dim)
|
||||
|
||||
! Create the Xs Data for each temperature
|
||||
TEMP_LOOP: do t = 1, temps % size()
|
||||
|
|
@ -1067,11 +1078,11 @@ module mgxs_header
|
|||
! Determine actual temperatures to read
|
||||
temp_desired = temps % data(i)
|
||||
nuc_t = minloc(abs(nuc % kTs - temp_desired), dim=1)
|
||||
temp_actual = nuc % kTs(i_closest)
|
||||
temp_actual = nuc % kTs(nuc_t)
|
||||
if (abs(temp_actual - temp_desired) >= tolerance) then
|
||||
call fatal_error("MGXS library does not contain cross sections &
|
||||
&for " // trim(this % name) // " at or near " // &
|
||||
trim(to_str(nint(temp_desired))) // " K.")
|
||||
trim(to_str(nint(temp_desired / K_BOLTZMANN))) // " K.")
|
||||
end if
|
||||
|
||||
case (TEMPERATURE_INTERPOLATION)
|
||||
|
|
@ -1174,13 +1185,16 @@ module mgxs_header
|
|||
|
||||
end subroutine mgxsiso_combine
|
||||
|
||||
subroutine mgxsang_combine(this, temps, mat, nuclides, groups, max_order)
|
||||
subroutine mgxsang_combine(this, temps, mat, nuclides, groups, max_order, &
|
||||
tolerance, method)
|
||||
class(MgxsAngle), intent(inout) :: this ! The Mgxs to initialize
|
||||
type(VectorReal), intent(in) :: temps ! Temperatures to obtain
|
||||
type(Material), pointer, intent(in) :: mat ! base material
|
||||
type(MgxsContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
|
||||
integer, intent(in) :: groups ! Number of E groups
|
||||
integer, intent(in) :: max_order ! Maximum requested order
|
||||
real(8), intent(in) :: tolerance ! Tolerance on method
|
||||
integer, intent(in) :: method ! Type of temperature access
|
||||
|
||||
integer :: i ! loop index over nuclides
|
||||
integer :: t ! temperature loop index
|
||||
|
|
@ -1188,7 +1202,7 @@ module mgxs_header
|
|||
real(8) :: atom_density ! atom density of a nuclide
|
||||
integer :: ipol, iazi, n_pol, n_azi
|
||||
real(8) :: norm, nuscatt
|
||||
integer :: mat_max_order, order, order_dim, nuc_order_dim
|
||||
integer :: order_dim, nuc_order_dim
|
||||
real(8), allocatable :: temp_mult(:, :, :, :), mult_num(:, :, :, :)
|
||||
real(8), allocatable :: mult_denom(:, :, :, :), scatt_coeffs(:, :, :, :, :)
|
||||
integer :: nuc_t
|
||||
|
|
@ -1196,7 +1210,8 @@ module mgxs_header
|
|||
integer :: scatter_type
|
||||
|
||||
! Set the meta-data
|
||||
call mgxs_combine(this, temps, mat, nuclides, scatter_type, order_dim)
|
||||
call mgxs_combine(this, temps, mat, nuclides, max_order, scatter_type, &
|
||||
order_dim)
|
||||
|
||||
! Get the number of each polar and azi angles and make sure all the
|
||||
! NuclideAngle types have the same number of these angles
|
||||
|
|
@ -1268,11 +1283,11 @@ module mgxs_header
|
|||
! Determine actual temperatures to read
|
||||
temp_desired = temps % data(i)
|
||||
nuc_t = minloc(abs(nuc % kTs - temp_desired), dim=1)
|
||||
temp_actual = nuc % kTs(i_closest)
|
||||
temp_actual = nuc % kTs(nuc_t)
|
||||
if (abs(temp_actual - temp_desired) >= tolerance) then
|
||||
call fatal_error("MGXS library does not contain cross sections &
|
||||
&for " // trim(this % name) // " at or near " // &
|
||||
trim(to_str(nint(temp_desired))) // " K.")
|
||||
trim(to_str(nint(temp_desired / K_BOLTZMANN))) // " K.")
|
||||
end if
|
||||
|
||||
case (TEMPERATURE_INTERPOLATION)
|
||||
|
|
@ -1325,7 +1340,7 @@ module mgxs_header
|
|||
nuscatt = nuc % xs(nuc_t) % scatter(iazi, ipol) % obj % scattxs(gin) * &
|
||||
nuc % xs(nuc_t) % scatter(iazi, ipol) % obj % energy(gin) % data(gout)
|
||||
mult_num(iazi, ipol, gout, gin) = &
|
||||
mult_num(iazi, ipo, gout, gin) + atom_density * &
|
||||
mult_num(iazi, ipol, gout, gin) + atom_density * &
|
||||
nuscatt
|
||||
if (nuc % xs(nuc_t) % scatter(iazi, ipol) % obj % mult(gin) % data(gout) > ZERO) then
|
||||
mult_denom(iazi, ipol, gout, gin) = &
|
||||
|
|
@ -1716,18 +1731,11 @@ module mgxs_header
|
|||
! sqrt(temperature), (with temperature in units of MeV)
|
||||
!===============================================================================
|
||||
|
||||
pure subroutine mgxs_find_temperature(this, sqrtkT, tolerance)
|
||||
class(Mgxs), intent(in) :: this
|
||||
real(8), intent(in) :: sqrtkT ! Temperature (in units of of MeV)
|
||||
real(8), intent(in) :: tolerance ! Temperature tolerance
|
||||
pure subroutine mgxs_find_temperature(this, sqrtkT)
|
||||
class(Mgxs), intent(inout) :: this
|
||||
real(8), intent(in) :: sqrtkT ! Temperature (in units of of MeV)
|
||||
|
||||
real(8) :: kT
|
||||
integer :: i_temp
|
||||
|
||||
kT = sqrtkT**2
|
||||
do i_temp = 1, size(this % kTs)
|
||||
if (abs(this % kTs(i_temp) - kT) < K_BOLTZMANN * tolerance) exit
|
||||
end do
|
||||
this % index_temp = minloc(abs(this % kTs - (sqrtkT * sqrtkT)), dim=1)
|
||||
|
||||
end subroutine mgxs_find_temperature
|
||||
|
||||
|
|
|
|||
|
|
@ -93,8 +93,7 @@ contains
|
|||
! After every collision for the MGXS mode
|
||||
if (p % material /= MATERIAL_VOID) then
|
||||
! Update the temperature index
|
||||
call macro_xs(p % material) % obj % find_temperature(p % sqrtkT, &
|
||||
temperature_tolerance)
|
||||
call macro_xs(p % material) % obj % find_temperature(p % sqrtkT)
|
||||
! Get the data
|
||||
call macro_xs(p % material) % obj % calculate_xs(p % g, &
|
||||
p % coord(p % n_coord) % uvw, material_xs)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue