diff --git a/docs/source/usersguide/input.rst b/docs/source/usersguide/input.rst index 70ba30171b..08444f23a9 100644 --- a/docs/source/usersguide/input.rst +++ b/docs/source/usersguide/input.rst @@ -758,12 +758,10 @@ a material default temperature. The ```` element has an accepted value of "nearest" or "interpolation". A value of "nearest" indicates that for each cell, the nearest temperature at which cross sections are given is to be applied, within a given -tolerance (see :ref:`temperature_tolerance`). A value of "interpolation" -indicates that cross sections are to be interpolated between temperatures at -which nuclear data are present. A value of "multipole" indicates that the -windowed multipole method should be used to evaluate temperature-dependent cross -sections in the resolved resonance range (a :ref:`windowed multipole library -` must also be available). +tolerance (see :ref:`temperature_tolerance`). A value of "multipole" indicates +that the windowed multipole method should be used to evaluate +temperature-dependent cross sections in the resolved resonance range (a +:ref:`windowed multipole library ` must also be available). *Default*: "nearest" diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py index 064cc4199a..456ccee7bc 100644 --- a/openmc/data/neutron.py +++ b/openmc/data/neutron.py @@ -23,8 +23,7 @@ if sys.version_info[0] >= 3: def _get_metadata(zaid, metastable_scheme='nndc'): - """Method to obtain the complete element name, element, Z, mass_number, - and metastable state + """Return basic identifying data for a nuclide with a given ZAID. Parameters ---------- @@ -283,8 +282,7 @@ class IncidentNeutron(EqualityMixin): self._urr = urr def add_temperature_from_ace(self, ace_or_filename, metastable_scheme='nndc'): - """Add data to the IncidentNeutron object from an ACE file at a - different temperature. + """Append data from an ACE file at a different temperature. Parameters ---------- diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py index 58c5276052..bbdb12dad2 100644 --- a/openmc/data/thermal.py +++ b/openmc/data/thermal.py @@ -226,7 +226,7 @@ class ThermalScattering(EqualityMixin): # Write basic data g = f.create_group(self.name) g.attrs['atomic_weight_ratio'] = self.atomic_weight_ratio - g.attrs['nuclides'] = np.string_(self.nuclides) + g.attrs['nuclides'] = np.array(self.nuclides, dtype='S') g.attrs['secondary_mode'] = np.string_(self.secondary_mode) ktg = g.create_group('kTs') for i, temperature in enumerate(self.temperatures): diff --git a/openmc/material.py b/openmc/material.py index 2b52995738..f56af485a4 100644 --- a/openmc/material.py +++ b/openmc/material.py @@ -724,32 +724,14 @@ class Materials(cv.CheckedList): materials : Iterable of openmc.Material Materials to add to the collection - Attributes - ---------- - default_temperature : str - The default temperature identifier applied to a material when none is - specified. The units are in Kelvin and the temperature rounded to the - nearest integer. For example, a tempreature of 293.6K would be - provided as '294K' - """ def __init__(self, materials=None): super(Materials, self).__init__(Material, 'materials collection') - self._default_temperature = None self._materials_file = ET.Element("materials") if materials is not None: self += materials - @property - def default_temperature(self): - return self._default_temperature - - @default_temperature.setter - def default_temperature(self, temperature): - cv.check_type('default_temperature', temperature, basestring) - self._default_temperature = temperature - def add_material(self, material): """Append material to collection @@ -831,11 +813,6 @@ class Materials(cv.CheckedList): material.make_isotropic_in_lab() def _create_material_subelements(self): - if self._default_temperature is not None: - subelement = ET.SubElement(self._materials_file, - "default_temperature") - subelement.text = self._default_temperature - for material in self: xml_element = material.get_material_xml() self._materials_file.append(xml_element) diff --git a/openmc/settings.py b/openmc/settings.py index ffd7a42233..4a9e050426 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -113,7 +113,7 @@ class Settings(object): temperatures at which nuclear data doesn't exist. Accepted keys are 'default', 'method', and 'tolerance'. 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 + 'method' should be 'nearest' or 'multipole'. If the method is 'nearest', 'tolerance' indicates a range of temperature within which cross sections may be used. trigger_active : bool diff --git a/src/hdf5_interface.F90 b/src/hdf5_interface.F90 index 13abd9754b..2ac06595b7 100644 --- a/src/hdf5_interface.F90 +++ b/src/hdf5_interface.F90 @@ -2518,7 +2518,6 @@ contains call h5aget_type_f(attr_id, filetype, hdf5_err) call h5tget_size_f(filetype, size, hdf5_err) if (size > len(buffer(1)) + 1) then - print *, size, len(buffer(1)) call fatal_error("Character buffer is not long enough to & &read HDF5 string array.") end if diff --git a/src/nuclide_header.F90 b/src/nuclide_header.F90 index f9e473f45c..1fbd691ee8 100644 --- a/src/nuclide_header.F90 +++ b/src/nuclide_header.F90 @@ -194,7 +194,6 @@ module nuclide_header real(8), intent(in) :: tolerance integer :: i - integer :: n integer :: storage_type integer :: max_corder integer :: n_links @@ -203,7 +202,7 @@ module nuclide_header integer :: n_temperature integer(HID_T) :: urr_group, nu_group integer(HID_T) :: energy_group, energy_dset - integer(HID_T) :: kT_group, kT_dset + integer(HID_T) :: kT_group integer(HID_T) :: rxs_group integer(HID_T) :: rx_group integer(HID_T) :: total_nu diff --git a/src/sab_header.F90 b/src/sab_header.F90 index c8619efa32..147643065a 100644 --- a/src/sab_header.F90 +++ b/src/sab_header.F90 @@ -87,7 +87,6 @@ contains real(8), intent(in) :: tolerance integer :: i, j - integer :: n integer :: t integer :: n_energy, n_energy_out, n_mu integer :: i_closest @@ -98,7 +97,7 @@ contains integer(HID_T) :: elastic_group integer(HID_T) :: inelastic_group integer(HID_T) :: dset_id - integer(HID_T) :: kT_group, kT_dset + integer(HID_T) :: kT_group integer(HSIZE_T) :: dims2(2) integer(HSIZE_T) :: dims3(3) real(8), allocatable :: temp(:,:) diff --git a/tests/input_set.py b/tests/input_set.py index 2dcef059a5..9bf74d33c2 100644 --- a/tests/input_set.py +++ b/tests/input_set.py @@ -271,7 +271,6 @@ class InputSet(object): bot_fa.add_s_alpha_beta('c_H_in_H2O') # Define the materials file. - self.materials.default_temperature = '294K' self.materials += (fuel, clad, cold_water, hot_water, rpv_steel, lower_rad_ref, upper_rad_ref, bot_plate, bot_nozzle, top_nozzle, top_fa, bot_fa) @@ -615,7 +614,6 @@ class PinCellInputSet(object): hot_water.add_s_alpha_beta('c_H_in_H2O') # Define the materials file. - self.materials.default_temperature = '294K' self.materials += (fuel, clad, hot_water) # Instantiate ZCylinder surfaces @@ -717,7 +715,6 @@ class AssemblyInputSet(object): hot_water.add_s_alpha_beta('c_H_in_H2O') # Define the materials file. - self.materials.default_temperature = '294K' self.materials += (fuel, clad, hot_water) # Instantiate ZCylinder surfaces @@ -845,7 +842,6 @@ class MGInputSet(InputSet): water.add_macroscopic(water_data) # Define the materials file. - self.materials.default_temperature = '294K' self.materials += (uo2, clad, water) # Define surfaces. diff --git a/tests/test_asymmetric_lattice/inputs_true.dat b/tests/test_asymmetric_lattice/inputs_true.dat index 997d74ba88..9d278724f8 100644 --- a/tests/test_asymmetric_lattice/inputs_true.dat +++ b/tests/test_asymmetric_lattice/inputs_true.dat @@ -1 +1 @@ -7b62ec28ffec0028dc07ed23b720ae3f97b00aa15b319dc3991d9f1f88fcae8bffc7ccd2385d2b848180a57120624061ff4fe10745a3187e3e64fee0faface8d \ No newline at end of file +dfb59bace10a91bb7ffc871d8ee87e91d94754bb8bb002ac6088f80fe0f480741c0489f74b753fc37158d0ff0f1368739ea60638b42083791311eefeac79168e \ No newline at end of file diff --git a/tests/test_distribmat/inputs_true.dat b/tests/test_distribmat/inputs_true.dat index 2ba50f7e8c..d21da2f894 100644 --- a/tests/test_distribmat/inputs_true.dat +++ b/tests/test_distribmat/inputs_true.dat @@ -1 +1 @@ -dd0b1228d264dd3c24ca3082de9839080f727a137c77bed74b7637cc16d1564ce7500e3bb61a88224926f1d837079702f304247efdf9e52dedf779e17cd14550 \ No newline at end of file +6ae54c198e7659503d297e40be746a5bd72b35909fceed4b3ef357876b781946c0ea5021342556ef21f4034fa9e42b2c6014077c0efd3459dc063e6da4b12b59 \ No newline at end of file diff --git a/tests/test_distribmat/test_distribmat.py b/tests/test_distribmat/test_distribmat.py index 29c5d638f3..ec19176c49 100644 --- a/tests/test_distribmat/test_distribmat.py +++ b/tests/test_distribmat/test_distribmat.py @@ -29,7 +29,6 @@ class DistribmatTestHarness(PyAPITestHarness): light_fuel.add_nuclide('U235', 1.0) mats_file = openmc.Materials([moderator, dense_fuel, light_fuel]) - mats_file.default_temperature = '294K' mats_file.export_to_xml() diff --git a/tests/test_iso_in_lab/inputs_true.dat b/tests/test_iso_in_lab/inputs_true.dat index 0298e581c6..310bccb139 100644 --- a/tests/test_iso_in_lab/inputs_true.dat +++ b/tests/test_iso_in_lab/inputs_true.dat @@ -1 +1 @@ -a84e601e6ba0891aaeaa37b1aa55076fecee598bb46be2b99dcdedab597b5d7e1731e2a0dc265df2ad6f475e33dae91a3cc27bc23d0c37be25a097ea83e74fd6 \ No newline at end of file +4b3d0270a479e65579b305d1c2339b76971790bc7371c685efa6e2d341980fec301cf0859c34796ae04ae98aa01ab8b4905a8d8a3a916895c36d82ca6b58fb39 \ No newline at end of file diff --git a/tests/test_mg_basic/inputs_true.dat b/tests/test_mg_basic/inputs_true.dat index 1f95579c71..916cd9205c 100644 --- a/tests/test_mg_basic/inputs_true.dat +++ b/tests/test_mg_basic/inputs_true.dat @@ -1 +1 @@ -ed4d8a6c1a00d4dad10bc5522bf42d0c7a13ef5f86fc93a3f249e77681cda4424ce8879919015b05272c276ffea41e3aecef882592e8dbd97085273a356fb630 \ No newline at end of file +ed4d8a6c1a00d4dad10bc5522bf42d0c7a13ef5f86fc93a3f249e77681cda4424ce8879919015b05272c276ffea41e3aecef882592e8dbd97085273a356fb630 diff --git a/tests/test_mg_tallies/inputs_true.dat b/tests/test_mg_tallies/inputs_true.dat index 5707fe6de0..59666aec61 100644 --- a/tests/test_mg_tallies/inputs_true.dat +++ b/tests/test_mg_tallies/inputs_true.dat @@ -1 +1 @@ -34af3b6ee8f65c6257d85a7c9594bc9bbabdabcb055e42bf6dd3ebfc0e41503367674223093363798950524e04f4377eae80f6d535301e55d268ff0c74e4261f \ No newline at end of file +34af3b6ee8f65c6257d85a7c9594bc9bbabdabcb055e42bf6dd3ebfc0e41503367674223093363798950524e04f4377eae80f6d535301e55d268ff0c74e4261f diff --git a/tests/test_mgxs_library_ce_to_mg/inputs_true.dat b/tests/test_mgxs_library_ce_to_mg/inputs_true.dat index e48c50d0a0..7b30f91223 100644 --- a/tests/test_mgxs_library_ce_to_mg/inputs_true.dat +++ b/tests/test_mgxs_library_ce_to_mg/inputs_true.dat @@ -1 +1 @@ -a33f770307b365103c5d71aa3e70deebd78d3a2fa90e88632641c1a40d64d19de0ce3c95c858aedf3beccc5de64cac434e1cd55b2b162ed315c78450c53a24a4 \ No newline at end of file +5c35e26926a43abf3ddcf782b09d96ce82d447a7db9ee9994c0aa811e431f8c06c11ce022c2a6ccf8d5f79f1cdedee2e8c20ca6d1e7cc5129ebcfae9568b2f87 \ No newline at end of file diff --git a/tests/test_mgxs_library_condense/inputs_true.dat b/tests/test_mgxs_library_condense/inputs_true.dat index c261a0edea..328d68b05f 100644 --- a/tests/test_mgxs_library_condense/inputs_true.dat +++ b/tests/test_mgxs_library_condense/inputs_true.dat @@ -1 +1 @@ -df2e5370925785e061e094561e9d2048c3104aaecf533ee9590a187d4597e53b489fb6e8cc54ed878f7d313bcf00586edceae4ff712c837faaa5ddab0ad378b3 \ No newline at end of file +2b2a2f5778b03f87d20fa6da96cc19db0489f69d4d5f0cac02dd407fd8e53a082081bfef35c4310cb2e0651254766d499e89279e711fd6fd93f913c964855839 \ No newline at end of file diff --git a/tests/test_mgxs_library_distribcell/inputs_true.dat b/tests/test_mgxs_library_distribcell/inputs_true.dat index 2ca1810e97..67509bd510 100644 --- a/tests/test_mgxs_library_distribcell/inputs_true.dat +++ b/tests/test_mgxs_library_distribcell/inputs_true.dat @@ -1 +1 @@ -687358da3e7d658b6187e1d76280437d5b1a97a7ca3920483792e74de6fa9556fa86f4d55150c03d8628b3aa424afa187d8745f087f252ad0fca44ccc2a85f4c \ No newline at end of file +ad427594bd8a68ad35382bc34b5932e7c78480b6e327caf63782d563fd6e6e5fb4e7b0dfd9094394a5db092f789c473dbb08cb6b3d0c0296edcfc247dbe95d6f \ No newline at end of file diff --git a/tests/test_mgxs_library_hdf5/inputs_true.dat b/tests/test_mgxs_library_hdf5/inputs_true.dat index c261a0edea..328d68b05f 100644 --- a/tests/test_mgxs_library_hdf5/inputs_true.dat +++ b/tests/test_mgxs_library_hdf5/inputs_true.dat @@ -1 +1 @@ -df2e5370925785e061e094561e9d2048c3104aaecf533ee9590a187d4597e53b489fb6e8cc54ed878f7d313bcf00586edceae4ff712c837faaa5ddab0ad378b3 \ No newline at end of file +2b2a2f5778b03f87d20fa6da96cc19db0489f69d4d5f0cac02dd407fd8e53a082081bfef35c4310cb2e0651254766d499e89279e711fd6fd93f913c964855839 \ No newline at end of file diff --git a/tests/test_mgxs_library_mesh/inputs_true.dat b/tests/test_mgxs_library_mesh/inputs_true.dat index 4cebb274ec..9e2bc06f18 100644 --- a/tests/test_mgxs_library_mesh/inputs_true.dat +++ b/tests/test_mgxs_library_mesh/inputs_true.dat @@ -1 +1 @@ -7f3aec9cedab76262de3706427ccba88b4c81fd4c9a033ff5467671ca21abe13b3981100d688502818bdd0534db22438970b02d652ca9d105557276de2d2a550 \ No newline at end of file +68c7695d7ae0367c59155eab05d3fe859cae895170f2cd32d4463af340a9a2035be16221b1eda8e2a1132bfe1b8163ca8d964fb1b23274c232fb10fd88274aea \ No newline at end of file diff --git a/tests/test_mgxs_library_no_nuclides/inputs_true.dat b/tests/test_mgxs_library_no_nuclides/inputs_true.dat index c261a0edea..328d68b05f 100644 --- a/tests/test_mgxs_library_no_nuclides/inputs_true.dat +++ b/tests/test_mgxs_library_no_nuclides/inputs_true.dat @@ -1 +1 @@ -df2e5370925785e061e094561e9d2048c3104aaecf533ee9590a187d4597e53b489fb6e8cc54ed878f7d313bcf00586edceae4ff712c837faaa5ddab0ad378b3 \ No newline at end of file +2b2a2f5778b03f87d20fa6da96cc19db0489f69d4d5f0cac02dd407fd8e53a082081bfef35c4310cb2e0651254766d499e89279e711fd6fd93f913c964855839 \ No newline at end of file diff --git a/tests/test_mgxs_library_nuclides/inputs_true.dat b/tests/test_mgxs_library_nuclides/inputs_true.dat index f3c25d4d50..593111f329 100644 --- a/tests/test_mgxs_library_nuclides/inputs_true.dat +++ b/tests/test_mgxs_library_nuclides/inputs_true.dat @@ -1 +1 @@ -332fd9ff1ca576410ffc6c0f3f03c00618fc863509dc3725f2f3a82134e2400de9c1edf2adc68cb8bce528789094f8eb468371e65cbc13efe76d76467ef291d9 \ No newline at end of file +63f6f8ae24e0d8e23731c903a59e3f5e0edff730933ef6f8836ebf78949db75542c5794a6486c27016ad22e4375b8a18092cd1d1e025162afd01936cac2f205b \ No newline at end of file diff --git a/tests/test_periodic/inputs_true.dat b/tests/test_periodic/inputs_true.dat index 0b49ac2aea..ed1bc7d1b4 100644 --- a/tests/test_periodic/inputs_true.dat +++ b/tests/test_periodic/inputs_true.dat @@ -1 +1 @@ -f427510feb8a63ee2246613e65c9e9a488b6b7df11ce5f5ab0c61b23f299e150a27068ee110f77c64b5bb82882b6d0a428e06de681df2bd83facb9ebc46fb54c \ No newline at end of file +259ea7c22920ddea0bc076ee77d35e76f36d2c7043cb8d036b182a11fd7d0f6524e3cbd9c6b0bf4a1af905ebe10b765d3d43e43e899d3edbb601baf6fd172365 \ No newline at end of file diff --git a/tests/test_tallies/inputs_true.dat b/tests/test_tallies/inputs_true.dat index 196925c387..5f4bebb0d2 100644 --- a/tests/test_tallies/inputs_true.dat +++ b/tests/test_tallies/inputs_true.dat @@ -1 +1 @@ -11adb9111f20950e28b1c1929ee4ca0c9a6b2524de89bef44a495b2fe8cda3a2acac9e87d64ddb5eba591c8d22289956cb1f024d31e05da3c9a4162b8c589d85 \ No newline at end of file +96d2f92c6017e62d688e3ca245c2ff7904a92816d188d096829440cd8fcfd4f8639dc67c12d54b324081c19e1c7dd2e79c1caeac53d7826399f11766826d5410 \ No newline at end of file diff --git a/tests/test_tally_aggregation/inputs_true.dat b/tests/test_tally_aggregation/inputs_true.dat index fa61e20b78..6d2990754d 100644 --- a/tests/test_tally_aggregation/inputs_true.dat +++ b/tests/test_tally_aggregation/inputs_true.dat @@ -1 +1 @@ -bc17ba12ee5de7e6b0226e589be9044af725ff4e27683b765a9c75e5629176b5ca51d1e0306028ae90185d64644babf9ac22e4753f092b4b836790f4e162f9d0 \ No newline at end of file +4a4e481b9af3612c71bdc93245011555807061bbd9d9be4c5b399f2c38820d38d9ce3ac6255d045415a216737eac65fb0f0b6e331e49b90bf8edc814d0f2f0e8 \ No newline at end of file diff --git a/tests/test_tally_arithmetic/inputs_true.dat b/tests/test_tally_arithmetic/inputs_true.dat index 56798828c6..b0da0ed247 100644 --- a/tests/test_tally_arithmetic/inputs_true.dat +++ b/tests/test_tally_arithmetic/inputs_true.dat @@ -1 +1 @@ -6b59ea3a0dc0d25c590f724b8c051a54e8d7836467ba31b7da72b0574398e6c73160a180524952ea983b0e7a7de776d2d7102d280d5a4e7e3624bd76f6f42a09 \ No newline at end of file +6747131dad4c1efd8c87d857ce9127cb16ec883fdf5fabe309d82732d47851424273e9ad4878a335555d8b25bb0c0a15e68ac30e355ae346e9885c499e9ec979 \ No newline at end of file diff --git a/tests/test_tally_slice_merge/inputs_true.dat b/tests/test_tally_slice_merge/inputs_true.dat index a40c0a01df..7a747e6b52 100644 --- a/tests/test_tally_slice_merge/inputs_true.dat +++ b/tests/test_tally_slice_merge/inputs_true.dat @@ -1 +1 @@ -6d9ebab08ccce003e6128c6346ffd80e69a957fab15e9a0e211771efa68b24f276e62781f8471c72072f9017380d7e821c38002c03689993efed45db9590c039 \ No newline at end of file +144dd4059444fad5e2e4fa20681fbdc74c0e5cbf3265104a0b49d87c768798eaeb25e3c6c795bcac2eebdde784c51588006d62c9f25be96dda5c51011a76b7c1 \ No newline at end of file diff --git a/tests/test_triso/inputs_true.dat b/tests/test_triso/inputs_true.dat index 4f58f14fbb..561877ad93 100644 --- a/tests/test_triso/inputs_true.dat +++ b/tests/test_triso/inputs_true.dat @@ -1 +1 @@ -033b09236ffceab5f0f7860d4926e0a66f328c6dd6fa48b28d6237278d42f9e06a28f2368f273773e417b8177705bc9a5e3ef67335734e5f17ff9843b72a2357 \ No newline at end of file +b22973093e2b0690b30fb1262a11e27004555b796c446d256cb58a1d7329888ab60c1b93729b3d74bb015b98aa434416daa2dc2aee526eb8df0e9052911f94b4 \ No newline at end of file diff --git a/tests/test_triso/test_triso.py b/tests/test_triso/test_triso.py index 386be00b36..685034491f 100644 --- a/tests/test_triso/test_triso.py +++ b/tests/test_triso/test_triso.py @@ -93,7 +93,6 @@ class TRISOTestHarness(PyAPITestHarness): settings.export_to_xml() mats = openmc.Materials([fuel, porous_carbon, ipyc, sic, opyc, graphite]) - mats.default_temperature = '294K' mats.export_to_xml() diff --git a/tests/test_volume_calc/inputs_true.dat b/tests/test_volume_calc/inputs_true.dat index 3a2d9c4747..ddfd497de4 100644 --- a/tests/test_volume_calc/inputs_true.dat +++ b/tests/test_volume_calc/inputs_true.dat @@ -1 +1 @@ -8dc4641e35f7770b8297eab9f71080c62a1c9607f36f7671cc61d47e0714887dea2f4c2ee515b23f39c38b1ea256c695d7c4d0ad95f5d7497a52d15f2ead33a5 \ No newline at end of file +382404d3061d2c847c87654ab12594ba3fbb7e3a82327da872b5fe2029018ef4d5d3376fceba5c2229ea6f85e1fb63650caf54baed3f3b0304137fde61a98d63 \ No newline at end of file diff --git a/tests/test_volume_calc/test_volume_calc.py b/tests/test_volume_calc/test_volume_calc.py index 656f4654a0..fa267efb6a 100644 --- a/tests/test_volume_calc/test_volume_calc.py +++ b/tests/test_volume_calc/test_volume_calc.py @@ -24,7 +24,6 @@ class VolumeTest(PyAPITestHarness): fuel.set_density('g/cc', 4.5) materials = openmc.Materials((water, fuel)) - materials.default_temperature = '294K' materials.export_to_xml() cyl = openmc.ZCylinder(1, R=1.0, boundary_type='vacuum')