From f747bb4fbd253ba06c3d8527ee8aaff56d9ceade Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Sun, 5 Jun 2016 15:09:32 -0400 Subject: [PATCH 1/5] Exposed tabular_legendre to the openmc.Library interface to the MGXS Data library. Also ever-so slightly sped up the tabular scattering runtime --- openmc/mgxs/library.py | 68 ++++++++++++++++++++++++++++++++++++---- openmc/mgxs_library.py | 2 +- src/scattdata_header.F90 | 21 +++++++------ 3 files changed, 75 insertions(+), 16 deletions(-) diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index 62dde28ab..76bdd885a 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -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 +774,23 @@ 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, 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 not converted to a tabular + representation). + tabular_points : {int} + This parameter is not used unless the `tabular_legendre` 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 +819,10 @@ 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 +849,11 @@ 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 +930,8 @@ 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 +948,19 @@ 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, 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 not converted to a tabular + representation). + tabular_points : {int} + This parameter is not used unless the `tabular_legendre` 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 +1021,16 @@ 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 +1048,19 @@ 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, 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 not converted to a tabular + representation). + tabular_points : {int} + This parameter is not used unless the `tabular_legendre` 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 +1125,9 @@ 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]) diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py index 35b48d873..f34f3b71c 100644 --- a/openmc/mgxs_library.py +++ b/openmc/mgxs_library.py @@ -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: diff --git a/src/scattdata_header.F90 b/src/scattdata_header.F90 index 12c11e2e4..06e052eec 100644 --- a/src/scattdata_header.F90 +++ b/src/scattdata_header.F90 @@ -329,7 +329,7 @@ contains real(8), intent(in) :: coeffs(:, :, :) ! Coefficients to use integer :: imu, gin, gout, groups, order - real(8) :: norm + real(8) :: norm, m, mu0, mu1, p0 real(8), allocatable :: energy(:, :) real(8), allocatable :: matrix(:, :, :) @@ -410,13 +410,17 @@ contains this % fmu(gin) % data(:, gout) / norm end if - ! Now create CDF from fmu with trapezoidal rule + ! Now create CDF from fmu with the analytical integral 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)) + p0 = this % fmu(gin) % data(imu - 1, gout) + mu0 = this % mu(imu - 1) + mu1 = this % mu(imu) + m = (this % fmu(gin) % data(imu, gout) - p0) / (mu1 - mu0) + this % dist(gin) % data(imu, gout) = HALF * m * mu1 * mu1 + & + (p0 - m * mu0) * mu1 + & + (HALF * m * mu0 * mu0 - p0 * mu0) + end do ! Ensure we normalize to 1 still norm = this % dist(gin) % data(order, gout) @@ -628,11 +632,10 @@ 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 From 80ecd2406ba6a2c6cef901e9a1c8a5db69b7456f Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Mon, 6 Jun 2016 05:19:56 -0400 Subject: [PATCH 2/5] Repeated the more analytic integration in the conversion of Legendre to Tabular data --- src/mgxs_header.F90 | 14 +++++++++++++- src/scattdata_header.F90 | 1 - src/tally.F90 | 2 -- 3 files changed, 13 insertions(+), 4 deletions(-) diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90 index 750a8df98..fd909ca00 100644 --- a/src/mgxs_header.F90 +++ b/src/mgxs_header.F90 @@ -277,7 +277,7 @@ module mgxs_header real(8), allocatable :: scatt_coeffs(:, :, :) real(8), allocatable :: input_scatt(:, :, :) real(8), allocatable :: temp_scatt(:, :, :) - real(8) :: dmu, mu, norm + real(8) :: dmu, mu, norm, p0, m, mu0 integer :: order, order_dim, gin, gout, l, arr_len integer :: legendre_mu_points, imu @@ -496,6 +496,18 @@ module mgxs_header (scatt_coeffs(imu - 1, gout, gin) + & scatt_coeffs(imu, gout, gin)) end if + ! Now create CDF from fmu with the analytical integral of a + ! piecewise linear function + if (imu > 1) then + p0 = scatt_coeffs(imu - 1, gout, gin) + mu0 = mu - dmu + m = (scatt_coeffs(imu, gout, gin) - & + scatt_coeffs(imu - 1, gout, gin)) / dmu + norm = norm + & + HALF * m * mu * mu + & + (p0 - m * mu0) * mu + & + (HALF * m * mu0 * mu0 - p0 * mu0) + end if end do ! Now that we have the integral, lets ensure that the distribution ! is normalized such that it preserves the original scattering xs diff --git a/src/scattdata_header.F90 b/src/scattdata_header.F90 index 06e052eec..6fca89190 100644 --- a/src/scattdata_header.F90 +++ b/src/scattdata_header.F90 @@ -420,7 +420,6 @@ contains this % dist(gin) % data(imu, gout) = HALF * m * mu1 * mu1 + & (p0 - m * mu0) * mu1 + & (HALF * m * mu0 * mu0 - p0 * mu0) - end do ! Ensure we normalize to 1 still norm = this % dist(gin) % data(order, gout) diff --git a/src/tally.F90 b/src/tally.F90 index 0c41b6f98..b40a39ce0 100644 --- a/src/tally.F90 +++ b/src/tally.F90 @@ -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 From 826d5a43d85eaec1b6c7b4ce22e1a8f5e9336a4f Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Tue, 7 Jun 2016 20:04:13 -0400 Subject: [PATCH 3/5] Switched tabular_legendre to have a default of true --- .../pythonapi/examples/mgxs-part-iv.ipynb | 180 +-- docs/source/usersguide/mgxs_library.rst | 6 +- openmc/mgxs/library.py | 9 +- src/mgxs_header.F90 | 10 +- tests/test_mg_basic/results_true.dat | 2 +- tests/test_mg_max_order/results_true.dat | 2 +- tests/test_mg_nuclide/results_true.dat | 2 +- tests/test_mg_tallies/results_true.dat | 1306 ++++++++--------- .../results_true.dat | 2 +- 9 files changed, 758 insertions(+), 761 deletions(-) diff --git a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb index b845636e2..5459c3dfe 100644 --- a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb +++ b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb @@ -432,7 +432,7 @@ "outputs": [ { "data": { - "image/png": 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"text/plain": [ "" ] @@ -722,8 +722,8 @@ " Copyright: 2011-2016 Massachusetts Institute of Technology\n", " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", - " Git SHA1: d20322f22d4850bd640b4accf34e2551550d17fb\n", - " Date/Time: 2016-05-30 14:20:53\n", + " Git SHA1: b41ec2178cc78c6c5968b47ebf09d926cdc44d00\n", + " Date/Time: 2016-06-07 19:46:24\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -810,20 +810,20 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 1.4260E+00 seconds\n", - " Reading cross sections = 1.1340E+00 seconds\n", - " Total time in simulation = 1.6739E+01 seconds\n", - " Time in transport only = 1.6650E+01 seconds\n", - " Time in inactive batches = 2.1540E+00 seconds\n", - " Time in active batches = 1.4585E+01 seconds\n", - " Time synchronizing fission bank = 1.0000E-02 seconds\n", - " Sampling source sites = 9.0000E-03 seconds\n", + " Total time for initialization = 1.4790E+00 seconds\n", + " Reading cross sections = 1.1810E+00 seconds\n", + " Total time in simulation = 1.7439E+01 seconds\n", + " Time in transport only = 1.7334E+01 seconds\n", + " Time in inactive batches = 2.1960E+00 seconds\n", + " Time in active batches = 1.5243E+01 seconds\n", + " Time synchronizing fission bank = 6.0000E-03 seconds\n", + " Sampling source sites = 5.0000E-03 seconds\n", " SEND/RECV source sites = 1.0000E-03 seconds\n", " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.8174E+01 seconds\n", - " Calculation Rate (inactive) = 23212.6 neutrons/second\n", - " Calculation Rate (active) = 13712.7 neutrons/second\n", + " Total time elapsed = 1.8926E+01 seconds\n", + " Calculation Rate (inactive) = 22768.7 neutrons/second\n", + " Calculation Rate (active) = 13120.8 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", @@ -966,11 +966,11 @@ "name": "stderr", "output_type": "stream", "text": [ - "/home/nelsonag/git/openmc/openmc/tallies.py:1986: RuntimeWarning: invalid value encountered in true_divide\n", + "/home/nelsonag/git/openmc/openmc/tallies.py:1990: RuntimeWarning: invalid value encountered in true_divide\n", " self_rel_err = data['self']['std. dev.'] / data['self']['mean']\n", - "/home/nelsonag/git/openmc/openmc/tallies.py:1987: RuntimeWarning: invalid value encountered in true_divide\n", + "/home/nelsonag/git/openmc/openmc/tallies.py:1991: RuntimeWarning: invalid value encountered in true_divide\n", " other_rel_err = data['other']['std. dev.'] / data['other']['mean']\n", - "/home/nelsonag/git/openmc/openmc/tallies.py:1988: RuntimeWarning: invalid value encountered in true_divide\n", + "/home/nelsonag/git/openmc/openmc/tallies.py:1992: RuntimeWarning: invalid value encountered in true_divide\n", " new_tally._mean = data['self']['mean'] / data['other']['mean']\n" ] } @@ -1098,8 +1098,8 @@ " Copyright: 2011-2016 Massachusetts Institute of Technology\n", " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", - " Git SHA1: d20322f22d4850bd640b4accf34e2551550d17fb\n", - " Date/Time: 2016-05-30 14:21:12\n", + " Git SHA1: b41ec2178cc78c6c5968b47ebf09d926cdc44d00\n", + " Date/Time: 2016-06-07 19:46:43\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -1124,56 +1124,56 @@ "\n", " Bat./Gen. k Average k \n", " ========= ======== ==================== \n", - " 1/1 1.06913 \n", - " 2/1 1.04067 \n", - " 3/1 1.01854 \n", - " 4/1 1.00203 \n", - " 5/1 1.03243 \n", - " 6/1 1.02688 \n", - " 7/1 1.06855 \n", - " 8/1 1.03420 \n", - " 9/1 1.01657 \n", - " 10/1 1.02795 \n", - " 11/1 1.01796 \n", - " 12/1 1.03372 1.02584 +/- 0.00788\n", - " 13/1 1.02433 1.02534 +/- 0.00458\n", - " 14/1 1.01147 1.02187 +/- 0.00474\n", - " 15/1 1.01215 1.01993 +/- 0.00416\n", - " 16/1 1.04088 1.02342 +/- 0.00487\n", - " 17/1 1.04033 1.02583 +/- 0.00477\n", - " 18/1 1.04483 1.02821 +/- 0.00477\n", - " 19/1 1.02870 1.02826 +/- 0.00420\n", - " 20/1 1.01339 1.02678 +/- 0.00404\n", - " 21/1 1.03389 1.02742 +/- 0.00371\n", - " 22/1 1.02535 1.02725 +/- 0.00340\n", - " 23/1 1.00225 1.02533 +/- 0.00367\n", - " 24/1 0.99938 1.02347 +/- 0.00387\n", - " 25/1 1.01620 1.02299 +/- 0.00363\n", - " 26/1 1.03393 1.02367 +/- 0.00347\n", - " 27/1 1.01875 1.02338 +/- 0.00327\n", - " 28/1 1.00305 1.02225 +/- 0.00328\n", - " 29/1 1.01453 1.02185 +/- 0.00313\n", - " 30/1 1.02891 1.02220 +/- 0.00299\n", - " 31/1 0.99612 1.02096 +/- 0.00311\n", - " 32/1 1.04911 1.02224 +/- 0.00323\n", - " 33/1 1.01410 1.02188 +/- 0.00310\n", - " 34/1 0.98979 1.02055 +/- 0.00326\n", - " 35/1 1.00938 1.02010 +/- 0.00316\n", - " 36/1 1.02857 1.02043 +/- 0.00305\n", - " 37/1 1.04095 1.02119 +/- 0.00303\n", - " 38/1 1.02033 1.02115 +/- 0.00292\n", - " 39/1 1.02104 1.02115 +/- 0.00282\n", - " 40/1 1.00854 1.02073 +/- 0.00276\n", - " 41/1 1.00932 1.02036 +/- 0.00269\n", - " 42/1 1.00284 1.01982 +/- 0.00266\n", - " 43/1 1.02489 1.01997 +/- 0.00258\n", - " 44/1 1.03981 1.02055 +/- 0.00257\n", - " 45/1 1.02630 1.02072 +/- 0.00251\n", - " 46/1 1.00133 1.02018 +/- 0.00249\n", - " 47/1 1.02409 1.02028 +/- 0.00243\n", - " 48/1 1.03928 1.02078 +/- 0.00241\n", - " 49/1 1.01226 1.02057 +/- 0.00236\n", - " 50/1 1.03536 1.02094 +/- 0.00233\n", + " 1/1 1.02438 \n", + " 2/1 1.04495 \n", + " 3/1 1.03438 \n", + " 4/1 0.99945 \n", + " 5/1 1.00818 \n", + " 6/1 1.00174 \n", + " 7/1 1.03430 \n", + " 8/1 1.02233 \n", + " 9/1 1.01200 \n", + " 10/1 1.02727 \n", + " 11/1 1.04051 \n", + " 12/1 1.02665 1.03358 +/- 0.00693\n", + " 13/1 1.01925 1.02880 +/- 0.00623\n", + " 14/1 1.03520 1.03040 +/- 0.00469\n", + " 15/1 1.03185 1.03069 +/- 0.00364\n", + " 16/1 1.03729 1.03179 +/- 0.00317\n", + " 17/1 1.00718 1.02827 +/- 0.00442\n", + " 18/1 1.00733 1.02566 +/- 0.00464\n", + " 19/1 1.02123 1.02516 +/- 0.00412\n", + " 20/1 1.01673 1.02432 +/- 0.00378\n", + " 21/1 1.03445 1.02524 +/- 0.00354\n", + " 22/1 1.03063 1.02569 +/- 0.00326\n", + " 23/1 1.00806 1.02433 +/- 0.00329\n", + " 24/1 1.03707 1.02524 +/- 0.00318\n", + " 25/1 1.01907 1.02483 +/- 0.00299\n", + " 26/1 1.01970 1.02451 +/- 0.00282\n", + " 27/1 1.00208 1.02319 +/- 0.00296\n", + " 28/1 1.02836 1.02348 +/- 0.00280\n", + " 29/1 1.02679 1.02365 +/- 0.00266\n", + " 30/1 1.03997 1.02447 +/- 0.00265\n", + " 31/1 0.99825 1.02322 +/- 0.00281\n", + " 32/1 1.01865 1.02301 +/- 0.00269\n", + " 33/1 1.00846 1.02238 +/- 0.00265\n", + " 34/1 1.01864 1.02222 +/- 0.00254\n", + " 35/1 1.02137 1.02219 +/- 0.00243\n", + " 36/1 1.02781 1.02241 +/- 0.00235\n", + " 37/1 1.02395 1.02246 +/- 0.00226\n", + " 38/1 1.00883 1.02198 +/- 0.00223\n", + " 39/1 0.99776 1.02114 +/- 0.00231\n", + " 40/1 1.01546 1.02095 +/- 0.00224\n", + " 41/1 1.04425 1.02170 +/- 0.00229\n", + " 42/1 1.02481 1.02180 +/- 0.00222\n", + " 43/1 1.00925 1.02142 +/- 0.00219\n", + " 44/1 1.04389 1.02208 +/- 0.00222\n", + " 45/1 1.04451 1.02272 +/- 0.00225\n", + " 46/1 1.02519 1.02279 +/- 0.00219\n", + " 47/1 1.03656 1.02316 +/- 0.00216\n", + " 48/1 1.04310 1.02369 +/- 0.00217\n", + " 49/1 1.03258 1.02392 +/- 0.00212\n", + " 50/1 1.01093 1.02359 +/- 0.00210\n", " Creating state point statepoint.50.h5...\n", "\n", " ===========================================================================\n", @@ -1183,27 +1183,27 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 2.8000E-02 seconds\n", - " Reading cross sections = 4.0000E-03 seconds\n", - " Total time in simulation = 1.2816E+01 seconds\n", - " Time in transport only = 1.2770E+01 seconds\n", - " Time in inactive batches = 1.3130E+00 seconds\n", - " Time in active batches = 1.1503E+01 seconds\n", - " Time synchronizing fission bank = 9.0000E-03 seconds\n", - " Sampling source sites = 3.0000E-03 seconds\n", - " SEND/RECV source sites = 6.0000E-03 seconds\n", + " Total time for initialization = 3.7000E-02 seconds\n", + " Reading cross sections = 5.0000E-03 seconds\n", + " Total time in simulation = 1.1738E+01 seconds\n", + " Time in transport only = 1.1701E+01 seconds\n", + " Time in inactive batches = 1.3240E+00 seconds\n", + " Time in active batches = 1.0414E+01 seconds\n", + " Time synchronizing fission bank = 8.0000E-03 seconds\n", + " Sampling source sites = 5.0000E-03 seconds\n", + " SEND/RECV source sites = 3.0000E-03 seconds\n", " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.2854E+01 seconds\n", - " Calculation Rate (inactive) = 38080.7 neutrons/second\n", - " Calculation Rate (active) = 17386.8 neutrons/second\n", + " Total time elapsed = 1.1785E+01 seconds\n", + " Calculation Rate (inactive) = 37764.4 neutrons/second\n", + " Calculation Rate (active) = 19204.9 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", - " k-effective (Collision) = 1.02358 +/- 0.00231\n", - " k-effective (Track-length) = 1.02094 +/- 0.00233\n", - " k-effective (Absorption) = 1.02682 +/- 0.00152\n", - " Combined k-effective = 1.02527 +/- 0.00153\n", + " k-effective (Collision) = 1.02444 +/- 0.00180\n", + " k-effective (Track-length) = 1.02359 +/- 0.00210\n", + " k-effective (Absorption) = 1.02530 +/- 0.00175\n", + " Combined k-effective = 1.02471 +/- 0.00130\n", " Leakage Fraction = 0.00000 +/- 0.00000\n", "\n" ] @@ -1285,8 +1285,8 @@ "output_type": "stream", "text": [ "Continuous-Energy keff = 1.024295\n", - "Multi-Group keff = 1.025274\n", - "bias [pcm]: -97.9\n" + "Multi-Group keff = 1.024707\n", + "bias [pcm]: -41.2\n" ] } ], @@ -1383,7 +1383,7 @@ { "data": { "text/plain": [ - "" + "" ] }, "execution_count": 40, @@ -1392,9 +1392,9 @@ }, { "data": { - "image/png": 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MGaGGu88MJdtuGR/TEw/KkFj0foZ9sXFQvnbpYvXQhRAiJyigCyFETlBAF0KInKCALoQQ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\n1oDu7h8WfL0eeLj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"text/plain": [ - "" + "" ] }, "metadata": {}, diff --git a/docs/source/usersguide/mgxs_library.rst b/docs/source/usersguide/mgxs_library.rst index 11ccae43d..daf99d481 100644 --- a/docs/source/usersguide/mgxs_library.rst +++ b/docs/source/usersguide/mgxs_library.rst @@ -171,9 +171,7 @@ 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 +179,7 @@ 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 diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index e335288ed..886eebf45 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -784,8 +784,7 @@ class Library(object): 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 not converted to a tabular - representation). + place (the distribution is converted to a tabular representation). tabular_points : {int} This parameter is not used unless the `tabular_legendre` is set to `True`. In this case, this parameter sets the number of @@ -954,8 +953,7 @@ class Library(object): 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 not converted to a tabular - representation). + place (the distribution is converted to a tabular representation). tabular_points : {int} This parameter is not used unless the `tabular_legendre` is set to `True`. In this case, this parameter sets the number of @@ -1054,8 +1052,7 @@ class Library(object): 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 not converted to a tabular - representation). + place (the distribution is converted to a tabular representation). tabular_points : {int} This parameter is not used unless the `tabular_legendre` is set to `True`. In this case, this parameter sets the number of diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90 index fd909ca00..519da708c 100644 --- a/src/mgxs_header.F90 +++ b/src/mgxs_header.F90 @@ -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 diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat index 55c2af813..1c58db0d7 100644 --- a/tests/test_mg_basic/results_true.dat +++ b/tests/test_mg_basic/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.033731E+00 4.974463E-02 +1.003952E+00 4.160185E-02 diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat index f75c1300a..3b9625201 100644 --- a/tests/test_mg_max_order/results_true.dat +++ b/tests/test_mg_max_order/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.055274E+00 1.715904E-02 +1.026398E+00 7.824554E-02 diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat index 55c2af813..1c58db0d7 100644 --- a/tests/test_mg_nuclide/results_true.dat +++ b/tests/test_mg_nuclide/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.033731E+00 4.974463E-02 +1.003952E+00 4.160185E-02 diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat index debbfa537..94ec79286 100644 --- a/tests/test_mg_tallies/results_true.dat +++ b/tests/test_mg_tallies/results_true.dat @@ -1,86 +1,86 @@ k-combined: -1.033731E+00 4.974463E-02 +1.003952E+00 4.160185E-02 tally 1: -3.163666E+00 -2.165097E+00 -9.964133E-02 -2.052446E-03 -4.861844E+00 -4.978206E+00 -4.417216E-02 -4.040216E-04 -1.095122E-01 -2.483317E-03 -3.324437E+00 -2.299850E+00 -9.574329E-02 -1.968438E-03 -4.881821E+00 -4.943976E+00 -4.041706E-02 -3.650255E-04 -1.002025E-01 -2.243628E-03 -3.199995E+00 -2.091126E+00 -8.859707E-02 -1.592091E-03 -4.671522E+00 -4.439001E+00 -3.660515E-02 -2.728602E-04 -9.075197E-02 -1.677135E-03 -2.910284E+00 -1.723356E+00 -9.207508E-02 -1.744614E-03 -4.421737E+00 -3.979362E+00 -4.080063E-02 -3.481887E-04 -1.011535E-01 -2.140141E-03 -2.506574E+00 -1.326705E+00 -8.637880E-02 -1.598941E-03 -3.920683E+00 -3.263607E+00 -3.978214E-02 -3.424111E-04 -9.862841E-02 -2.104629E-03 -2.951103E+00 -1.826551E+00 -8.748324E-02 -1.648479E-03 -4.309848E+00 -3.903067E+00 -3.741466E-02 -3.141687E-04 -9.275891E-02 -1.931037E-03 -3.048521E+00 -2.007251E+00 -9.483162E-02 -1.935789E-03 -4.599534E+00 -4.527383E+00 -4.168244E-02 -3.813062E-04 -1.033396E-01 -2.343697E-03 -2.982958E+00 -1.966657E+00 -9.896454E-02 -2.016812E-03 -4.645921E+00 -4.599347E+00 -4.489740E-02 -4.108900E-04 -1.113102E-01 -2.525534E-03 +3.027550E+00 +2.152400E+00 +8.573015E-02 +1.716238E-03 +4.377236E+00 +4.480918E+00 +3.577293E-02 +2.996921E-04 +8.868872E-02 +1.842057E-03 +3.189586E+00 +2.165036E+00 +9.625303E-02 +1.898094E-03 +4.691910E+00 +4.579570E+00 +4.156421E-02 +3.532611E-04 +1.030465E-01 +2.171318E-03 +2.987648E+00 +1.869303E+00 +9.105156E-02 +1.775628E-03 +4.522682E+00 +4.342733E+00 +3.968997E-02 +3.424105E-04 +9.839988E-02 +2.104625E-03 +3.225648E+00 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-4.143067E+00 -3.546386E+00 -3.725690E-02 -2.974028E-04 -9.236779E-02 -1.827986E-03 -2.767691E+00 -1.557585E+00 -7.816996E-02 -1.254835E-03 -4.015666E+00 -3.289915E+00 -3.260527E-02 -2.211412E-04 -8.083542E-02 -1.359243E-03 -2.734236E+00 -1.510579E+00 -8.505695E-02 -1.474976E-03 -4.114798E+00 -3.424404E+00 -3.737976E-02 -2.870194E-04 -9.267239E-02 -1.764164E-03 -2.421441E+00 -1.195490E+00 -8.292263E-02 -1.384777E-03 -3.817448E+00 -2.942804E+00 -3.814207E-02 -2.931372E-04 -9.456230E-02 -1.801767E-03 -2.724650E+00 -1.519118E+00 -9.238437E-02 -1.725646E-03 -4.305602E+00 -3.753830E+00 -4.235399E-02 -3.657508E-04 -1.050046E-01 -2.248086E-03 -2.703678E+00 -1.593893E+00 -8.744732E-02 -1.597761E-03 -4.110489E+00 -3.592877E+00 -3.913038E-02 -3.184391E-04 -9.701255E-02 -1.957285E-03 -2.707705E+00 -1.792230E+00 -8.754036E-02 -1.760104E-03 -4.203619E+00 -4.162497E+00 -3.927598E-02 -3.456207E-04 -9.737351E-02 -2.124357E-03 +3.136746E+00 +2.097844E+00 +9.001259E-02 +1.679379E-03 +4.662194E+00 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+3.437595E-02 +2.503895E-04 +8.522531E-02 +1.539019E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -341,86 +341,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -2.333969E+00 -1.124588E+00 -6.982134E-02 -1.014762E-03 -3.448351E+00 -2.435965E+00 -3.004987E-02 -1.926319E-04 -7.450003E-02 -1.184011E-03 -3.086286E+00 -1.981929E+00 -1.016918E-01 -2.146313E-03 -4.741530E+00 -4.626144E+00 -4.593581E-02 -4.489950E-04 -1.138847E-01 -2.759746E-03 -2.871515E+00 -1.672027E+00 -8.533571E-02 -1.469319E-03 -4.221958E+00 -3.599412E+00 -3.658547E-02 -2.721530E-04 -9.070318E-02 -1.672788E-03 -2.715053E+00 -1.498990E+00 -8.595576E-02 -1.530999E-03 -4.139891E+00 -3.493193E+00 -3.815373E-02 -3.059779E-04 -9.459122E-02 -1.880692E-03 -2.265823E+00 -1.080584E+00 -6.709890E-02 -9.696052E-04 -3.397886E+00 -2.446009E+00 -2.882467E-02 -1.820798E-04 -7.146249E-02 -1.119153E-03 -2.443336E+00 -1.255468E+00 -8.222450E-02 -1.373726E-03 -3.836077E+00 -3.019588E+00 -3.754438E-02 -2.866712E-04 -9.308051E-02 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-6.209725E-02 -8.275041E-04 -3.320499E+00 -2.339919E+00 -2.530846E-02 -1.388437E-04 -6.274506E-02 -8.534023E-04 -2.411516E+00 -1.208668E+00 -7.127755E-02 -1.051206E-03 -3.599456E+00 -2.675604E+00 -3.057946E-02 -1.929511E-04 -7.581300E-02 -1.185973E-03 -2.170599E+00 -9.911770E-01 -6.225331E-02 -8.096954E-04 -3.174400E+00 -2.102442E+00 -2.621745E-02 -1.490631E-04 -6.499865E-02 -9.162161E-04 +2.615843E+00 +1.511122E+00 +8.062716E-02 +1.419946E-03 +3.984393E+00 +3.462948E+00 +3.538715E-02 +2.775562E-04 +8.773227E-02 +1.705998E-03 +2.882570E+00 +1.761817E+00 +8.002023E-02 +1.361536E-03 +4.138232E+00 +3.590378E+00 +3.301403E-02 +2.428126E-04 +8.184882E-02 +1.492447E-03 +3.223528E+00 +2.083805E+00 +8.733159E-02 +1.544129E-03 +4.604746E+00 +4.254674E+00 +3.551662E-02 +2.594309E-04 +8.805326E-02 +1.594591E-03 +2.927536E+00 +1.741281E+00 +8.346281E-02 +1.434485E-03 +4.324501E+00 +3.806148E+00 +3.508574E-02 +2.599007E-04 +8.698503E-02 +1.597479E-03 +3.057707E+00 +1.944892E+00 +8.714384E-02 +1.580757E-03 +4.450690E+00 +4.103723E+00 +3.652244E-02 +2.807333E-04 +9.054690E-02 +1.725526E-03 +2.719115E+00 +1.510843E+00 +7.867244E-02 +1.258358E-03 +3.983708E+00 +3.239056E+00 +3.327673E-02 +2.253729E-04 +8.250009E-02 +1.385254E-03 +2.396119E+00 +1.153282E+00 +7.566785E-02 +1.182019E-03 +3.610641E+00 +2.634248E+00 +3.348337E-02 +2.377537E-04 +8.301240E-02 +1.461353E-03 +2.154802E+00 +1.067493E+00 +6.324323E-02 +8.945795E-04 +3.142780E+00 +2.238062E+00 +2.691333E-02 +1.628077E-04 +6.672387E-02 +1.000697E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1021,86 +1021,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -2.374348E+00 -1.146696E+00 -6.443426E-02 -8.746572E-04 -3.428224E+00 -2.405912E+00 -2.629872E-02 -1.523681E-04 -6.520012E-02 -9.365302E-04 -2.464893E+00 -1.229701E+00 -7.050588E-02 -1.022217E-03 -3.660115E+00 -2.719644E+00 -2.971255E-02 -1.859463E-04 -7.366374E-02 -1.142918E-03 -2.086598E+00 -8.776819E-01 -6.304625E-02 -8.239181E-04 -3.124875E+00 -1.968039E+00 -2.731211E-02 -1.609716E-04 -6.771252E-02 -9.894116E-04 -2.314873E+00 -1.083111E+00 -5.761556E-02 -6.762901E-04 -3.205662E+00 -2.074555E+00 -2.215216E-02 -1.044406E-04 -5.491992E-02 -6.419437E-04 -2.313273E+00 -1.119912E+00 -6.126598E-02 -7.845228E-04 -3.266340E+00 -2.226545E+00 -2.455456E-02 -1.271226E-04 -6.087598E-02 -7.813588E-04 -2.283282E+00 -1.100474E+00 -6.665553E-02 -9.193170E-04 -3.364565E+00 -2.364829E+00 -2.834631E-02 -1.672037E-04 -7.027653E-02 -1.027717E-03 -2.186072E+00 -9.712029E-01 -7.000241E-02 -1.019717E-03 -3.374290E+00 -2.313941E+00 -3.125803E-02 -2.124583E-04 -7.749531E-02 -1.305874E-03 -2.250156E+00 -1.052173E+00 -6.400255E-02 -8.818690E-04 -3.268015E+00 -2.245559E+00 -2.679559E-02 -1.634377E-04 -6.643197E-02 -1.004569E-03 +3.073244E+00 +2.018709E+00 +9.073696E-02 +1.753157E-03 +4.516776E+00 +4.329334E+00 +3.876727E-02 +3.208452E-04 +9.611233E-02 +1.972074E-03 +2.671039E+00 +1.446563E+00 +7.823234E-02 +1.250837E-03 +3.946269E+00 +3.138681E+00 +3.334746E-02 +2.319341E-04 +8.267545E-02 +1.425582E-03 +3.349978E+00 +2.319515E+00 +9.950325E-02 +2.061329E-03 +5.001138E+00 +5.168172E+00 +4.276928E-02 +3.828620E-04 +1.060342E-01 +2.353260E-03 +2.978936E+00 +1.799523E+00 +9.017252E-02 +1.638102E-03 +4.406186E+00 +3.924003E+00 +3.904232E-02 +3.071501E-04 +9.679424E-02 +1.887897E-03 +2.702401E+00 +1.471209E+00 +7.923417E-02 +1.296139E-03 +4.023502E+00 +3.272988E+00 +3.383397E-02 +2.416414E-04 +8.388161E-02 +1.485248E-03 +2.759858E+00 +1.531505E+00 +8.419492E-02 +1.488052E-03 +4.150314E+00 +3.494954E+00 +3.667250E-02 +2.957414E-04 +9.091893E-02 +1.817773E-03 +2.601272E+00 +1.380301E+00 +8.755772E-02 +1.625699E-03 +4.019486E+00 +3.299452E+00 +3.989786E-02 +3.528389E-04 +9.891530E-02 +2.168723E-03 +2.510230E+00 +1.275856E+00 +8.725714E-02 +1.601325E-03 +3.973851E+00 +3.204497E+00 +4.039490E-02 +3.543820E-04 +1.001476E-01 +2.178208E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1191,86 +1191,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -2.149693E+00 -9.566763E-01 -6.325375E-02 -8.781459E-04 -3.163781E+00 -2.089993E+00 -2.699802E-02 -1.754950E-04 -6.693384E-02 -1.078679E-03 -2.368262E+00 -1.206255E+00 -6.517665E-02 -9.363557E-04 -3.403305E+00 -2.501730E+00 -2.677251E-02 -1.620249E-04 -6.637476E-02 -9.958857E-04 -2.280249E+00 -1.070455E+00 -7.456831E-02 -1.147671E-03 -3.475673E+00 -2.476848E+00 -3.352210E-02 -2.345869E-04 -8.310842E-02 -1.441888E-03 -2.226928E+00 -1.011037E+00 -7.770236E-02 -1.243393E-03 -3.524398E+00 -2.538453E+00 -3.601410E-02 -2.702997E-04 -8.928663E-02 -1.661396E-03 -2.407411E+00 -1.170093E+00 -7.171133E-02 -1.029235E-03 -3.502484E+00 -2.461827E+00 -3.070568E-02 -1.889715E-04 -7.612591E-02 -1.161513E-03 -2.331359E+00 -1.134448E+00 -6.734317E-02 -9.407363E-04 -3.333577E+00 -2.267345E+00 -2.832929E-02 -1.772720E-04 -7.023433E-02 -1.089602E-03 -2.008838E+00 -8.722179E-01 -5.586199E-02 -7.051708E-04 -2.903675E+00 -1.807255E+00 -2.309145E-02 -1.322637E-04 -5.724863E-02 -8.129585E-04 -2.226061E+00 -1.048269E+00 -6.536859E-02 -9.623671E-04 -3.297988E+00 -2.324450E+00 -2.791406E-02 -1.866630E-04 -6.920490E-02 -1.147324E-03 +2.355419E+00 +1.227267E+00 +7.298104E-02 +1.204355E-03 +3.584952E+00 +2.839605E+00 +3.206831E-02 +2.384737E-04 +7.950416E-02 +1.465778E-03 +2.885415E+00 +1.707496E+00 +8.937354E-02 +1.638109E-03 +4.328343E+00 +3.842717E+00 +3.915662E-02 +3.169623E-04 +9.707761E-02 +1.948208E-03 +2.817788E+00 +1.659313E+00 +8.795245E-02 +1.652827E-03 +4.286382E+00 +3.831800E+00 +3.878123E-02 +3.288848E-04 +9.614692E-02 +2.021489E-03 +2.987432E+00 +1.822564E+00 +8.500598E-02 +1.500428E-03 +4.380470E+00 +3.921075E+00 +3.565649E-02 +2.685990E-04 +8.840004E-02 +1.650943E-03 +2.685515E+00 +1.443739E+00 +8.434998E-02 +1.460545E-03 +4.166156E+00 +3.492673E+00 +3.738938E-02 +2.956120E-04 +9.269624E-02 +1.816978E-03 +2.686749E+00 +1.496524E+00 +8.914589E-02 +1.663073E-03 +4.156201E+00 +3.578378E+00 +4.042946E-02 +3.475741E-04 +1.002332E-01 +2.136363E-03 +2.760305E+00 +1.579416E+00 +8.914803E-02 +1.630935E-03 +4.214440E+00 +3.628492E+00 +3.989038E-02 +3.331009E-04 +9.889676E-02 +2.047404E-03 +2.681752E+00 +1.472982E+00 +8.701435E-02 +1.526110E-03 +4.175631E+00 +3.518871E+00 +3.914441E-02 +3.118235E-04 +9.704732E-02 +1.916622E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -2892,15 +2892,15 @@ tally 1: 0.000000E+00 0.000000E+00 tally 2: -4.076711E+01 -3.341374E+02 -4.077838E+01 -3.343221E+02 -6.274781E+00 -7.937573E+00 -6.275007E+00 -7.938146E+00 -1.122968E+02 -2.557771E+03 -1.122968E+02 -2.557771E+03 +4.417493E+01 +3.967273E+02 +4.418714E+01 +3.969466E+02 +7.878379E+00 +1.248770E+01 +7.878666E+00 +1.248861E+01 +1.271565E+02 +3.251279E+03 +1.271565E+02 +3.251279E+03 diff --git a/tests/test_mgxs_library_ce_to_mg/results_true.dat b/tests/test_mgxs_library_ce_to_mg/results_true.dat index 16441af8c..c82da3bce 100644 --- a/tests/test_mgxs_library_ce_to_mg/results_true.dat +++ b/tests/test_mgxs_library_ce_to_mg/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.094839E+00 1.203524E-02 +1.151644E+00 3.044607E-02 From dffb9858e80f052bc4152b5d1602df9c9c5e06ea Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Wed, 8 Jun 2016 19:38:44 -0400 Subject: [PATCH 4/5] Fixed per @paulromano comments --- .../pythonapi/examples/mgxs-part-iv.ipynb | 172 +-- docs/source/usersguide/mgxs_library.rst | 4 +- openmc/mgxs/library.py | 42 +- src/mgxs_header.F90 | 14 +- src/scattdata_header.F90 | 20 +- tests/test_mg_basic/results_true.dat | 2 +- tests/test_mg_max_order/results_true.dat | 2 +- tests/test_mg_nuclide/results_true.dat | 2 +- tests/test_mg_tallies/results_true.dat | 1306 ++++++++--------- .../results_true.dat | 2 +- 10 files changed, 771 insertions(+), 795 deletions(-) diff --git a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb index 5459c3dfe..e5c80c192 100644 --- a/docs/source/pythonapi/examples/mgxs-part-iv.ipynb +++ b/docs/source/pythonapi/examples/mgxs-part-iv.ipynb @@ -432,7 +432,7 @@ "outputs": [ { "data": { - "image/png": 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+ "image/png": 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"text/plain": [ "" ] @@ -722,8 +722,8 @@ " Copyright: 2011-2016 Massachusetts Institute of Technology\n", " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", - " Git SHA1: b41ec2178cc78c6c5968b47ebf09d926cdc44d00\n", - " Date/Time: 2016-06-07 19:46:24\n", + " Git SHA1: 826d5a43d85eaec1b6c7b4ce22e1a8f5e9336a4f\n", + " Date/Time: 2016-06-08 19:33:38\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -810,20 +810,20 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 1.4790E+00 seconds\n", - " Reading cross sections = 1.1810E+00 seconds\n", - " Total time in simulation = 1.7439E+01 seconds\n", - " Time in transport only = 1.7334E+01 seconds\n", - " Time in inactive batches = 2.1960E+00 seconds\n", - " Time in active batches = 1.5243E+01 seconds\n", - " Time synchronizing fission bank = 6.0000E-03 seconds\n", - " Sampling source sites = 5.0000E-03 seconds\n", + " Total time for initialization = 1.4220E+00 seconds\n", + " Reading cross sections = 1.1320E+00 seconds\n", + " Total time in simulation = 1.6571E+01 seconds\n", + " Time in transport only = 1.6501E+01 seconds\n", + " Time in inactive batches = 2.1010E+00 seconds\n", + " Time in active batches = 1.4470E+01 seconds\n", + " Time synchronizing fission bank = 5.0000E-03 seconds\n", + " Sampling source sites = 4.0000E-03 seconds\n", " SEND/RECV source sites = 1.0000E-03 seconds\n", " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.8926E+01 seconds\n", - " Calculation Rate (inactive) = 22768.7 neutrons/second\n", - " Calculation Rate (active) = 13120.8 neutrons/second\n", + " Total time elapsed = 1.8002E+01 seconds\n", + " Calculation Rate (inactive) = 23798.2 neutrons/second\n", + " Calculation Rate (active) = 13821.7 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", @@ -1098,8 +1098,8 @@ " Copyright: 2011-2016 Massachusetts Institute of Technology\n", " License: http://openmc.readthedocs.io/en/latest/license.html\n", " Version: 0.7.1\n", - " Git SHA1: b41ec2178cc78c6c5968b47ebf09d926cdc44d00\n", - " Date/Time: 2016-06-07 19:46:43\n", + " Git SHA1: 826d5a43d85eaec1b6c7b4ce22e1a8f5e9336a4f\n", + " Date/Time: 2016-06-08 19:33:56\n", " OpenMP Threads: 4\n", "\n", " ===========================================================================\n", @@ -1124,56 +1124,56 @@ "\n", " Bat./Gen. k Average k \n", " ========= ======== ==================== \n", - " 1/1 1.02438 \n", - " 2/1 1.04495 \n", - " 3/1 1.03438 \n", - " 4/1 0.99945 \n", - " 5/1 1.00818 \n", - " 6/1 1.00174 \n", - " 7/1 1.03430 \n", - " 8/1 1.02233 \n", - " 9/1 1.01200 \n", - " 10/1 1.02727 \n", - " 11/1 1.04051 \n", - " 12/1 1.02665 1.03358 +/- 0.00693\n", - " 13/1 1.01925 1.02880 +/- 0.00623\n", - " 14/1 1.03520 1.03040 +/- 0.00469\n", - " 15/1 1.03185 1.03069 +/- 0.00364\n", - " 16/1 1.03729 1.03179 +/- 0.00317\n", - " 17/1 1.00718 1.02827 +/- 0.00442\n", - " 18/1 1.00733 1.02566 +/- 0.00464\n", - " 19/1 1.02123 1.02516 +/- 0.00412\n", - " 20/1 1.01673 1.02432 +/- 0.00378\n", - " 21/1 1.03445 1.02524 +/- 0.00354\n", - " 22/1 1.03063 1.02569 +/- 0.00326\n", - " 23/1 1.00806 1.02433 +/- 0.00329\n", - " 24/1 1.03707 1.02524 +/- 0.00318\n", - " 25/1 1.01907 1.02483 +/- 0.00299\n", - " 26/1 1.01970 1.02451 +/- 0.00282\n", - " 27/1 1.00208 1.02319 +/- 0.00296\n", - " 28/1 1.02836 1.02348 +/- 0.00280\n", - " 29/1 1.02679 1.02365 +/- 0.00266\n", - " 30/1 1.03997 1.02447 +/- 0.00265\n", - " 31/1 0.99825 1.02322 +/- 0.00281\n", - " 32/1 1.01865 1.02301 +/- 0.00269\n", - " 33/1 1.00846 1.02238 +/- 0.00265\n", - " 34/1 1.01864 1.02222 +/- 0.00254\n", - " 35/1 1.02137 1.02219 +/- 0.00243\n", - " 36/1 1.02781 1.02241 +/- 0.00235\n", - " 37/1 1.02395 1.02246 +/- 0.00226\n", - " 38/1 1.00883 1.02198 +/- 0.00223\n", - " 39/1 0.99776 1.02114 +/- 0.00231\n", - " 40/1 1.01546 1.02095 +/- 0.00224\n", - " 41/1 1.04425 1.02170 +/- 0.00229\n", - " 42/1 1.02481 1.02180 +/- 0.00222\n", - " 43/1 1.00925 1.02142 +/- 0.00219\n", - " 44/1 1.04389 1.02208 +/- 0.00222\n", - " 45/1 1.04451 1.02272 +/- 0.00225\n", - " 46/1 1.02519 1.02279 +/- 0.00219\n", - " 47/1 1.03656 1.02316 +/- 0.00216\n", - " 48/1 1.04310 1.02369 +/- 0.00217\n", - " 49/1 1.03258 1.02392 +/- 0.00212\n", - " 50/1 1.01093 1.02359 +/- 0.00210\n", + " 1/1 0.99367 \n", + " 2/1 1.03173 \n", + " 3/1 1.01999 \n", + " 4/1 1.01421 \n", + " 5/1 1.03980 \n", + " 6/1 1.04540 \n", + " 7/1 1.04199 \n", + " 8/1 1.02680 \n", + " 9/1 1.01267 \n", + " 10/1 1.03420 \n", + " 11/1 1.05773 \n", + " 12/1 1.03475 1.04624 +/- 0.01149\n", + " 13/1 1.03632 1.04293 +/- 0.00741\n", + " 14/1 0.99297 1.03044 +/- 0.01355\n", + " 15/1 1.02413 1.02918 +/- 0.01057\n", + " 16/1 1.02359 1.02825 +/- 0.00868\n", + " 17/1 0.99913 1.02409 +/- 0.00843\n", + " 18/1 1.01493 1.02294 +/- 0.00739\n", + " 19/1 1.03010 1.02374 +/- 0.00657\n", + " 20/1 1.04890 1.02626 +/- 0.00639\n", + " 21/1 1.01267 1.02502 +/- 0.00591\n", + " 22/1 1.02637 1.02513 +/- 0.00540\n", + " 23/1 1.01374 1.02426 +/- 0.00504\n", + " 24/1 1.06661 1.02728 +/- 0.00556\n", + " 25/1 1.03212 1.02760 +/- 0.00519\n", + " 26/1 1.05433 1.02927 +/- 0.00513\n", + " 27/1 0.99891 1.02749 +/- 0.00514\n", + " 28/1 1.00616 1.02630 +/- 0.00499\n", + " 29/1 1.04583 1.02733 +/- 0.00483\n", + " 30/1 1.01512 1.02672 +/- 0.00462\n", + " 31/1 0.98104 1.02455 +/- 0.00491\n", + " 32/1 1.04202 1.02534 +/- 0.00474\n", + " 33/1 1.00779 1.02458 +/- 0.00460\n", + " 34/1 1.02450 1.02457 +/- 0.00440\n", + " 35/1 0.98882 1.02314 +/- 0.00446\n", + " 36/1 1.01541 1.02285 +/- 0.00429\n", + " 37/1 1.02050 1.02276 +/- 0.00413\n", + " 38/1 1.03573 1.02322 +/- 0.00401\n", + " 39/1 1.03649 1.02368 +/- 0.00389\n", + " 40/1 1.01434 1.02337 +/- 0.00378\n", + " 41/1 1.02345 1.02337 +/- 0.00365\n", + " 42/1 1.01900 1.02323 +/- 0.00354\n", + " 43/1 1.01450 1.02297 +/- 0.00344\n", + " 44/1 1.03127 1.02321 +/- 0.00335\n", + " 45/1 1.01598 1.02301 +/- 0.00326\n", + " 46/1 1.00851 1.02260 +/- 0.00319\n", + " 47/1 1.03406 1.02291 +/- 0.00312\n", + " 48/1 1.02373 1.02294 +/- 0.00303\n", + " 49/1 1.04066 1.02339 +/- 0.00299\n", + " 50/1 1.02011 1.02331 +/- 0.00292\n", " Creating state point statepoint.50.h5...\n", "\n", " ===========================================================================\n", @@ -1183,27 +1183,27 @@ "\n", " =======================> TIMING STATISTICS <=======================\n", "\n", - " Total time for initialization = 3.7000E-02 seconds\n", + " Total time for initialization = 3.1000E-02 seconds\n", " Reading cross sections = 5.0000E-03 seconds\n", - " Total time in simulation = 1.1738E+01 seconds\n", - " Time in transport only = 1.1701E+01 seconds\n", - " Time in inactive batches = 1.3240E+00 seconds\n", - " Time in active batches = 1.0414E+01 seconds\n", - " Time synchronizing fission bank = 8.0000E-03 seconds\n", - " Sampling source sites = 5.0000E-03 seconds\n", - " SEND/RECV source sites = 3.0000E-03 seconds\n", + " Total time in simulation = 1.1867E+01 seconds\n", + " Time in transport only = 1.1830E+01 seconds\n", + " Time in inactive batches = 1.2670E+00 seconds\n", + " Time in active batches = 1.0600E+01 seconds\n", + " Time synchronizing fission bank = 7.0000E-03 seconds\n", + " Sampling source sites = 7.0000E-03 seconds\n", + " SEND/RECV source sites = 0.0000E+00 seconds\n", " Time accumulating tallies = 0.0000E+00 seconds\n", " Total time for finalization = 0.0000E+00 seconds\n", - " Total time elapsed = 1.1785E+01 seconds\n", - " Calculation Rate (inactive) = 37764.4 neutrons/second\n", - " Calculation Rate (active) = 19204.9 neutrons/second\n", + " Total time elapsed = 1.1907E+01 seconds\n", + " Calculation Rate (inactive) = 39463.3 neutrons/second\n", + " Calculation Rate (active) = 18867.9 neutrons/second\n", "\n", " ============================> RESULTS <============================\n", "\n", - " k-effective (Collision) = 1.02444 +/- 0.00180\n", - " k-effective (Track-length) = 1.02359 +/- 0.00210\n", - " k-effective (Absorption) = 1.02530 +/- 0.00175\n", - " Combined k-effective = 1.02471 +/- 0.00130\n", + " k-effective (Collision) = 1.02638 +/- 0.00260\n", + " k-effective (Track-length) = 1.02331 +/- 0.00292\n", + " k-effective (Absorption) = 1.02579 +/- 0.00132\n", + " Combined k-effective = 1.02558 +/- 0.00136\n", " Leakage Fraction = 0.00000 +/- 0.00000\n", "\n" ] @@ -1285,8 +1285,8 @@ "output_type": "stream", "text": [ "Continuous-Energy keff = 1.024295\n", - "Multi-Group keff = 1.024707\n", - "bias [pcm]: -41.2\n" + "Multi-Group keff = 1.025577\n", + "bias [pcm]: -128.2\n" ] } ], @@ -1383,7 +1383,7 @@ { "data": { "text/plain": [ - "" + "" ] }, "execution_count": 40, @@ -1392,9 +1392,9 @@ }, { "data": { - "image/png": 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MGaGGu88MJdtuGR/TEw/KkFj0foZ9sXFQvnbpYvXQhRAiJyigCyFETlBAF0KInKCALoQQ\nOUEBXQghcoICuhBC5AQFdCGEyAmVneDixaDtlWPbvlktfma1Tdf42Vf+FJ/bPjhqlVBzol0aag7x\nm0PNLmP/XrL8qB3jySsu9PiZ7q4D44f9vXMowZ6It7GPirfxTkc8HGrmEE8GPMG2regEF0Nq7y9a\nfu+XPw3rWOnyDJO7nBxv8wkZJle63Q8MNRdNjSeCsHgeGfzaDLtkRvzbd7omnsr1yYf2jNsaH0s4\nM97OazA51Hw4s3uoObDHbSXLN2VtTm6zuya4EEKIvKOALoQQOUEBXQghcoICuhBC5AQFdCGEyAkK\n6EIIkRMU0IUQIicooAshRE6o6AQXL27Zr2T51u+/FNbRZk6chLB1l3+Empfi/AvW+NvcUDO6/6Fx\nRWNjCaeVLl5u2tdhFftyV6jZ4aU4+eL0p0IJtefFCV4v/6b0/gb4E0dl0BwdaiaEivIy14onoV3Z\n/ufh+qeuEieOffVJvM3Hdd4v1Fx0Y5w0xMRY8tm5cdLQSq/Hx+sZo+OJKZ7sv0ds0E9iyTvVq4ea\nxz0+pt//+NZQ025UnKB06+rHlCwfsmbp9dVDF0KInKCALoQQOUEBXQghcoICuhBC5AQFdCGEyAkK\n6EIIkRMU0IUQIicooAshRE4oS2KRmU0BPgFqga/dfWBDuuE2umQ943punqGx2lAykEtCzRdbxkkR\nK6ycYeajl+Nz5J0HxMk8Iw4sPuMNwKd+fVjHE7P2CjVWG28/fyD+Tf88bYtQ8wPiRDGejtva5kfP\nx/WUiay+fRf7Fq1jPPG24qh4v7zK90LNIY/GyWUcHrd1hcfJXD+/+Ia4rbvits69JEM/c0yGmY96\nxMfrV7ZuqGlHXE+WWdHO/c2vQs0Z9waxqkPp4nJlitYCVe7+cZnqF6JSyLdFi6VcQy5WxrqFqCTy\nbdFiKZdjOvC4mb1oZkeWqQ0hKoF8W7RYyjXksq27zzCz1YAnzOwNd3+mTG0JsSyRb4sWS1kCurvP\nSP9/aGb3AwOBJZx+TvU1iz6vWLU1K1ZtXQ5zxHeA12pm83rNnLK3k9W3L6v+bNHnQVXLMahq+bLb\nJnLK6zXJHzBpWd8UNbOVgDbu/qmZdQCGAGc3pO1afWxzNy++o2xa1Y1Nq7ot+n732ZOavY3G+PYv\nqoMjT4is9KtK/oA+PeCdmxt0OaA8PfQewP1m5mn9t7v7mDK0I8SyRr4tWjTNHtDdfTKQ4QFyIVoX\n8m3R0jH3eAaRsjRs5jf4iJKabswO6/mbDw013W1mqNnf7ww1L/lWoeZnb94barx9KGFCn9KJEzW1\n8QMW7X1BqDnmpNtiY4bEPrL6zpNDzYzn14vbah+31eatODmF4W1w9wzZJ82PmfmXJZ5SX+7iDJUM\nzZI4E2+r0X3imX2GX/Rw3NaguK3J2/UINd0XfBhqOlwQ799HqrcPNVULno7bei2DL/0tlpz+29+G\nmlcy9AWe+qSqZPlO7drxSMfORX1bz9MKIUROUEAXQoicoIAuhBA5QQFdCCFyggK6EELkBAV0IYTI\nCQroQgiRExTQhRAiJ1Q0schGl57l45t+cSLr4E3HhpoHiGfu+TlXhpqfck+o6ejzQ81Onz0Vatqf\nWLr8/uvjhKq1eC/UrOJzQ83LDAg1P1zy/VRL2rN2/PIsPyCUsPsFfwk1j7TZt6KJRfO/KN5XGtI+\nflvAFrwSaq56+aRQc/dWu4WaT7xzqBnC46Gm1wMfhZpoxh0gU/76hB02CDXjfMtQ05c3Qs2jxMfa\nlowLNSPm3RFqNuz0dsnywXTmujabKLFICCHyjgK6EELkBAV0IYTICQroQgiRExTQhRAiJyigCyFE\nTlBAF0KInKCALoQQOaGiiUXDa0eV1Ozqj4b1HGh3x41dEZ+3Xjjhe6FmIBPitm6J27r7oDjZYx97\nqLTgibidrwbGeTXLdy6d3AXANnFb/nDclnXP0NbkuK2J6/UONZvY1IomFh1Re3nR8hO5NKyjL++E\nmuP5n1Bz5fMnhxrbJt4vw7k51PRte3ioOWth3JaNjX2g9t8Z/G1k3NZTtm2o6eTzQs2WvBZqhnF7\nqLnv76Uz64Z0gTH9i8/GpR66EELkBAV0IYTICQroQgiRExTQhRAiJyigCyFETlBAF0KInKCALoQQ\nOUEBXQghckKGuUHKx1tWetaR79naYR0jam8ONXf+JLZlHp1CjZ/dNtRMOmut2B5GhJphfUq39YdJ\nx4V1bMRboeb7GaaQeeT5fULN56wYatpyUKhZd93vh5rp9Aw1MDWDpny8Tr+iZX3fnBKuf/lGx4Sa\niRYnqB2yzR9Dzc3jY7/uv8XIUNNu4bGhZgqrh5o3d9gu1EzeYZ1Qc/Td8e/quk+fULPF3yeGmvW3\nixOLdsswgxhPBglTgbnqoQshRE5QQBdCiJyggC6EEDlBAV0IIXKCAroQQuQEBXQhhMgJCuhCCJET\nFNCFECInLPWMRWY2CtgNmOnum6XLugB3Ab2BKcC+7v5JkfV9j9o7Srbx8N/3C+34plecG3XWOqeE\nmv3sL6Hmv75+qJll3UPNeh7PRrPjdc+WLK8dFFbByf3PCTW/++zMULNCnFfB6C33CDXDhwazMAHv\nPBYnnvyU+0LNBNt2qWcsag7fZmht0foPeeSa0IYbDzs+1PimoYR7fxknHw1776+hpu3kePaf537U\nP9T8jaGhpn+GmcF+zR9CzRjfOdTMtNjfRvidoWZzeyXUHMItoeZx36VkeV96M7LNsLLMWHQTUL/1\nU4En3X0jYCxwWhPqF6JSyLdFq2SpA7q7PwN8XG/xnrDoNHQLsNfS1i9EpZBvi9ZKc4+hd3f3mQDu\nPgNYrZnrF6JSyLdFi0c3RYUQIic099sWZ5pZD3efaWarA7NKiSdW37Po86pVm7Bq1SbNbI74rvBp\nzTg+rRlXziYa5du8Xf3t565V0K2qjKaJPPN+zSSm1/wXgCl0LqltakC39K+Oh4BDgAuBg4EHS628\ncfWwJjYvRMLKVQNYuWrAou8zz76xqVU2ybfZoLqp7QsBwJpVfVizKnlvbl9689g5dxfVLvWQi5nd\nAfwL2NDM3jWzQ4ELgJ3N7E1gp/S7EK0K+bZorSx1D93d9y9StNPS1ilES0C+LVorS51Y1OSGzfzJ\n2sElNdvf/Vxczz5xwoPfHl+I/OqA34eaSzI8ejzDuoSaBd4+1KzDjJLl9sP4N9UeHefV2IHx9rN7\nMrS1oHna4sO4rbHdS/sNwE727FInFjUVM/MrFh5etPy4B+LhIPtJhv1yVIb9sleG/bJrhv0yK27L\nH8rQ1hEZjteD45mGuv3p/VAzp32cNHStHRJqdvCnQs2GGWbIuogTYk1t6STI7WnPve26lyWxSAgh\nRAtCAV0IIXKCAroQQuQEBXQhhMgJCuhCCJETFNCFECInKKALIUROUEAXQoic0Nwv52oUOz/6TMny\nk/eJZ9w57/I4CeG2kfuEmvXtv6FmqvcINe2I7ZlkG4Sap314yfKd/xEnMK32Sf1Xei/JW/QJNT2H\nxYlQXQ74MtTU7hpvm686hBKqqY5FS8xPsWzZvk3xZJQr9zoiXP/nq8Xbyk6N7WjzTZw4WHtg3NaY\nP28XanZZ5e+h5hI/LtQcd01s8+wPeoaaD3uvHGqO+fDTUHNB95GhprMfGmpeZvtQM2f8miXL53cq\nvb566EIIkRMU0IUQIicooAshRE5QQBdCiJyggC6EEDlBAV0IIXKCAroQQuQEBXQhhMgJFZ2xiFNr\nS2p+cP4TYT1dauPkmQdt31BzpF0VatZgeqg5xq8LNT0nxzbzcuniOcNWCKuY0nZBqBmwbmyKj84w\nE81W8Uw0t7JfqOnP+FBzg8WJOVfbKRWdsaj2reLl4/r0Devo882kUNOpXZzM9ULbuM/W7/NYM32F\nOJHHMsSSPrfHMw09c8CAUPM0VaHmWK4ONcsv+DrUdFjhm1DT5t24nt694+TFb7x0ruePWIk72qyl\nGYuEECLvKKALIUROUEAXQoicoIAuhBA5QQFdCCFyggK6EELkBAV0IYTICQroQgiREyo6YxHblM77\neObsncMqbM84mcEfjGdkOe7MeBahzZkYav4/3UPNH9/4VahhWOlEna4/js/FXVbLkFczKU4Isifi\nttpOiPfDCf23CDWH/md0qDmm36WhpuLcWbzo/t/uFa5+3thzQ83YnQeFmu32ypAU1j5OnLnKLwo1\nl915WqjhgNLJhABj7ZRQM9ifDTVd+CK2J4Nv37J76dnDAPboFe/Th+6J6+HC0sUfBbtcPXQhhMgJ\nCuhCCJETFNCFECInKKALIUROUEAXQoicoIAuhBA5QQFdCCFyggK6EELkhKWescjMRgG7ATPdfbN0\n2VnAkcCsVPYbd3+syPrO0NJJBgc9cm1ox32f/TTU/KJDnIjyb/teqNmh9qm4rVfiGYseH7BdqOnH\n6yXLb+HgsI6fcH+o6fXZe6Hmsg4jQ83pYy4JNf13eS7UdPXZoWZC7eahZk67tZd6xqLm8O07avco\nWv9btlFowxY+LtTcRZyocsNnR4aaVzvEvv8njgo1N407NtSMHHBBqHnXeoWaF9k61Jzp54SaGzks\n1PRnQqj5S208K1pn+yTUTO7dr2T5kO1gzB1WlhmLbgJ2aWD5Je4+IP1r0OGFaOHIt0WrZKkDurs/\nAzQ0OWZF5nEUormQb4vWSjnG0I8zs/FmdoOZdS5D/UJUCvm2aNE098u5rgHOcXc3s3OBS4DDi6rf\nrv72c9cq6FbVzOaI7wpf1zzL10/HL2xqAo3y7Xuqv32R2yZVq7JJ1arltE3kmQU18GUNAJNeLS1t\n1oDu7h8WfL0eeLj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"text/plain": [ - "" + "" ] }, "metadata": {}, diff --git a/docs/source/usersguide/mgxs_library.rst b/docs/source/usersguide/mgxs_library.rst index daf99d481..32e4c550c 100644 --- a/docs/source/usersguide/mgxs_library.rst +++ b/docs/source/usersguide/mgxs_library.rst @@ -171,7 +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: diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py index 886eebf45..924189264 100644 --- a/openmc/mgxs/library.py +++ b/openmc/mgxs/library.py @@ -778,18 +778,18 @@ class Library(object): 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, bool} + 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. + 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` 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`. + 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 ------- @@ -947,18 +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, bool} + 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. + 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` 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`. + 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 ------- @@ -1046,18 +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, bool} + 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. + 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` 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`. + 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 ------- diff --git a/src/mgxs_header.F90 b/src/mgxs_header.F90 index 519da708c..753f4e149 100644 --- a/src/mgxs_header.F90 +++ b/src/mgxs_header.F90 @@ -277,7 +277,7 @@ module mgxs_header real(8), allocatable :: scatt_coeffs(:, :, :) real(8), allocatable :: input_scatt(:, :, :) real(8), allocatable :: temp_scatt(:, :, :) - real(8) :: dmu, mu, norm, p0, m, mu0 + real(8) :: dmu, mu, norm integer :: order, order_dim, gin, gout, l, arr_len integer :: legendre_mu_points, imu @@ -498,18 +498,6 @@ module mgxs_header (scatt_coeffs(imu - 1, gout, gin) + & scatt_coeffs(imu, gout, gin)) end if - ! Now create CDF from fmu with the analytical integral of a - ! piecewise linear function - if (imu > 1) then - p0 = scatt_coeffs(imu - 1, gout, gin) - mu0 = mu - dmu - m = (scatt_coeffs(imu, gout, gin) - & - scatt_coeffs(imu - 1, gout, gin)) / dmu - norm = norm + & - HALF * m * mu * mu + & - (p0 - m * mu0) * mu + & - (HALF * m * mu0 * mu0 - p0 * mu0) - end if end do ! Now that we have the integral, lets ensure that the distribution ! is normalized such that it preserves the original scattering xs diff --git a/src/scattdata_header.F90 b/src/scattdata_header.F90 index 6fca89190..ee101d63b 100644 --- a/src/scattdata_header.F90 +++ b/src/scattdata_header.F90 @@ -398,32 +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 the analytical integral - this % dist(gin) % data(1, gout) = ZERO - do imu = 2, order - p0 = this % fmu(gin) % data(imu - 1, gout) - mu0 = this % mu(imu - 1) - mu1 = this % mu(imu) - m = (this % fmu(gin) % data(imu, gout) - p0) / (mu1 - mu0) - this % dist(gin) % data(imu, gout) = HALF * m * mu1 * mu1 + & - (p0 - m * mu0) * mu1 + & - (HALF * m * mu0 * mu0 - p0 * mu0) - 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 diff --git a/tests/test_mg_basic/results_true.dat b/tests/test_mg_basic/results_true.dat index 1c58db0d7..7cdda73b5 100644 --- a/tests/test_mg_basic/results_true.dat +++ b/tests/test_mg_basic/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.003952E+00 4.160185E-02 +1.047136E+00 2.765964E-02 diff --git a/tests/test_mg_max_order/results_true.dat b/tests/test_mg_max_order/results_true.dat index 3b9625201..4db04e089 100644 --- a/tests/test_mg_max_order/results_true.dat +++ b/tests/test_mg_max_order/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.026398E+00 7.824554E-02 +1.102093E+00 4.962190E-02 diff --git a/tests/test_mg_nuclide/results_true.dat b/tests/test_mg_nuclide/results_true.dat index 1c58db0d7..7cdda73b5 100644 --- a/tests/test_mg_nuclide/results_true.dat +++ b/tests/test_mg_nuclide/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.003952E+00 4.160185E-02 +1.047136E+00 2.765964E-02 diff --git a/tests/test_mg_tallies/results_true.dat b/tests/test_mg_tallies/results_true.dat index 94ec79286..4a654639a 100644 --- a/tests/test_mg_tallies/results_true.dat +++ b/tests/test_mg_tallies/results_true.dat @@ -1,86 +1,86 @@ k-combined: -1.003952E+00 4.160185E-02 +1.047136E+00 2.765964E-02 tally 1: -3.027550E+00 -2.152400E+00 -8.573015E-02 -1.716238E-03 -4.377236E+00 -4.480918E+00 -3.577293E-02 -2.996921E-04 -8.868872E-02 -1.842057E-03 -3.189586E+00 -2.165036E+00 -9.625303E-02 -1.898094E-03 -4.691910E+00 -4.579570E+00 -4.156421E-02 -3.532611E-04 -1.030465E-01 -2.171318E-03 -2.987648E+00 -1.869303E+00 -9.105156E-02 -1.775628E-03 -4.522682E+00 -4.342733E+00 -3.968997E-02 -3.424105E-04 -9.839988E-02 -2.104625E-03 -3.225648E+00 -2.102269E+00 -8.764034E-02 -1.567260E-03 -4.629948E+00 -4.315388E+00 -3.574267E-02 -2.684687E-04 -8.861368E-02 -1.650142E-03 -3.394894E+00 -2.332105E+00 -8.432398E-02 -1.485500E-03 -4.659277E+00 -4.398368E+00 -3.230884E-02 -2.317511E-04 -8.010050E-02 -1.424457E-03 -3.013158E+00 -2.009646E+00 -7.490989E-02 -1.178333E-03 -4.123109E+00 -3.682531E+00 -2.869447E-02 -1.710786E-04 -7.113970E-02 -1.051534E-03 -3.157181E+00 -2.100927E+00 -8.531655E-02 -1.520341E-03 -4.523209E+00 -4.302173E+00 -3.468239E-02 -2.516726E-04 -8.598504E-02 -1.546905E-03 -2.922890E+00 -1.788820E+00 -8.708247E-02 -1.621130E-03 -4.305352E+00 -3.866481E+00 -3.740038E-02 -3.097101E-04 -9.272351E-02 -1.903632E-03 +2.490837E+00 +1.335515E+00 +8.299408E-02 +1.628477E-03 +3.917892E+00 +3.395475E+00 +3.777816E-02 +3.574150E-04 +9.366009E-02 +2.196850E-03 +2.410307E+00 +1.211320E+00 +7.104710E-02 +1.056830E-03 +3.619111E+00 +2.712466E+00 +3.046789E-02 +2.019483E-04 +7.553639E-02 +1.241275E-03 +2.616860E+00 +1.407243E+00 +7.221083E-02 +1.059301E-03 +3.719840E+00 +2.827103E+00 +2.963219E-02 +1.775955E-04 +7.346451E-02 +1.091590E-03 +2.383417E+00 +1.171863E+00 +6.968054E-02 +9.924374E-04 +3.486989E+00 +2.493855E+00 +2.962148E-02 +1.817051E-04 +7.343795E-02 +1.116850E-03 +2.177844E+00 +9.998272E-01 +6.808817E-02 +9.543925E-04 +3.302614E+00 +2.268097E+00 +3.001326E-02 +1.847730E-04 +7.440926E-02 +1.135706E-03 +2.585363E+00 +1.416531E+00 +7.208386E-02 +1.068367E-03 +3.721777E+00 +2.868016E+00 +2.981132E-02 +1.871051E-04 +7.390860E-02 +1.150041E-03 +2.740199E+00 +1.663131E+00 +8.719535E-02 +1.596752E-03 +4.146740E+00 +3.682203E+00 +3.870935E-02 +3.136109E-04 +9.596871E-02 +1.927608E-03 +2.212799E+00 +1.000035E+00 +7.449165E-02 +1.135538E-03 +3.466616E+00 +2.419923E+00 +3.399202E-02 +2.463541E-04 +8.427346E-02 +1.514215E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -171,86 +171,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -3.136746E+00 -2.097844E+00 -9.001259E-02 -1.679379E-03 -4.662194E+00 -4.592725E+00 -3.801404E-02 -2.981421E-04 -9.424490E-02 -1.832530E-03 -3.106448E+00 -2.078391E+00 -9.012356E-02 -1.762294E-03 -4.513037E+00 -4.378913E+00 -3.813004E-02 -3.167893E-04 -9.453248E-02 -1.947145E-03 -2.830121E+00 -1.799064E+00 -8.110239E-02 -1.428875E-03 -4.186480E+00 -3.869678E+00 -3.421633E-02 -2.502127E-04 -8.482957E-02 -1.537931E-03 -3.117676E+00 -1.961910E+00 -8.682325E-02 -1.551480E-03 -4.541798E+00 -4.177594E+00 -3.598671E-02 -2.719848E-04 -8.921872E-02 -1.671754E-03 -2.860792E+00 -1.699774E+00 -7.734553E-02 -1.212035E-03 -4.045685E+00 -3.352230E+00 -3.136656E-02 -2.020318E-04 -7.776439E-02 -1.241788E-03 -2.807124E+00 -1.635117E+00 -8.312523E-02 -1.403341E-03 -4.138428E+00 -3.503069E+00 -3.560217E-02 -2.611276E-04 -8.826537E-02 -1.605020E-03 -2.924592E+00 -1.733173E+00 -8.343992E-02 -1.403493E-03 -4.345943E+00 -3.817213E+00 -3.513702E-02 -2.517119E-04 -8.711216E-02 -1.547146E-03 -2.646486E+00 -1.418290E+00 -7.950085E-02 -1.309718E-03 -3.966626E+00 -3.215631E+00 -3.437595E-02 -2.503895E-04 -8.522531E-02 -1.539019E-03 +2.099094E+00 +8.919271E-01 +7.540489E-02 +1.194829E-03 +3.366752E+00 +2.321133E+00 +3.536709E-02 +2.711517E-04 +8.768256E-02 +1.666633E-03 +2.413065E+00 +1.186499E+00 +7.505466E-02 +1.154624E-03 +3.609948E+00 +2.664048E+00 +3.294274E-02 +2.242161E-04 +8.167207E-02 +1.378144E-03 +2.536174E+00 +1.301621E+00 +7.790327E-02 +1.242427E-03 +3.836384E+00 +2.980367E+00 +3.409705E-02 +2.443384E-04 +8.453386E-02 +1.501825E-03 +2.666159E+00 +1.492268E+00 +7.417343E-02 +1.141120E-03 +3.912196E+00 +3.186439E+00 +3.075257E-02 +1.953163E-04 +7.624217E-02 +1.200511E-03 +2.459342E+00 +1.286534E+00 +6.409323E-02 +8.519553E-04 +3.511461E+00 +2.568245E+00 +2.550853E-02 +1.387171E-04 +6.324108E-02 +8.526242E-04 +3.227353E+00 +2.189454E+00 +8.161989E-02 +1.366996E-03 +4.465292E+00 +4.143037E+00 +3.169508E-02 +2.069605E-04 +7.857885E-02 +1.272082E-03 +3.006650E+00 +1.972749E+00 +8.846181E-02 +1.643195E-03 +4.449165E+00 +4.222523E+00 +3.779771E-02 +2.999515E-04 +9.370858E-02 +1.843651E-03 +2.591189E+00 +1.530310E+00 +7.305643E-02 +1.114250E-03 +3.732882E+00 +3.031120E+00 +3.039294E-02 +1.919600E-04 +7.535057E-02 +1.179882E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -341,86 +341,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -3.421827E+00 -2.488458E+00 -9.626948E-02 -2.065197E-03 -5.040929E+00 -5.451459E+00 -4.018656E-02 -3.779606E-04 -9.963105E-02 -2.323134E-03 -2.869547E+00 -1.698223E+00 -8.662967E-02 -1.551328E-03 -4.227759E+00 -3.702584E+00 -3.740987E-02 -2.903037E-04 -9.274703E-02 -1.784351E-03 -2.588566E+00 -1.357415E+00 -7.706802E-02 -1.216264E-03 -3.821156E+00 -2.967091E+00 -3.309228E-02 -2.275536E-04 -8.204281E-02 -1.398658E-03 -2.777772E+00 -1.584289E+00 -8.469785E-02 -1.456208E-03 -4.195353E+00 -3.574265E+00 -3.693140E-02 -2.790926E-04 -9.156081E-02 -1.715441E-03 -3.118197E+00 -1.989138E+00 -9.265883E-02 -1.753400E-03 -4.574869E+00 -4.260081E+00 -3.969940E-02 -3.241960E-04 -9.842328E-02 -1.992670E-03 -2.591904E+00 -1.370188E+00 -8.148726E-02 -1.342503E-03 -3.988752E+00 -3.228928E+00 -3.608041E-02 -2.655091E-04 -8.945102E-02 -1.631951E-03 -3.123916E+00 -1.985559E+00 -9.297564E-02 -1.754830E-03 -4.650584E+00 -4.387677E+00 -3.995654E-02 -3.270558E-04 -9.906077E-02 -2.010247E-03 -2.507814E+00 -1.313596E+00 -7.534295E-02 -1.160881E-03 -3.761249E+00 -2.915759E+00 -3.258970E-02 -2.199767E-04 -8.079681E-02 -1.352086E-03 +2.667561E+00 +1.528159E+00 +6.981409E-02 +1.036744E-03 +3.696781E+00 +2.912439E+00 +2.768232E-02 +1.628195E-04 +6.863038E-02 +1.000769E-03 +2.579691E+00 +1.399684E+00 +7.252523E-02 +1.085979E-03 +3.762646E+00 +2.966415E+00 +3.021298E-02 +1.872587E-04 +7.490441E-02 +1.150985E-03 +2.326398E+00 +1.111745E+00 +6.380790E-02 +8.422824E-04 +3.373074E+00 +2.338678E+00 +2.619114E-02 +1.463613E-04 +6.493342E-02 +8.996094E-04 +2.689651E+00 +1.483190E+00 +8.007622E-02 +1.328579E-03 +4.015410E+00 +3.294872E+00 +3.443210E-02 +2.525628E-04 +8.536450E-02 +1.552377E-03 +2.712538E+00 +1.496273E+00 +7.040893E-02 +1.033599E-03 +3.801423E+00 +2.967673E+00 +2.785218E-02 +1.687241E-04 +6.905150E-02 +1.037062E-03 +3.101358E+00 +2.022582E+00 +8.316566E-02 +1.469875E-03 +4.433641E+00 +4.167950E+00 +3.363316E-02 +2.428472E-04 +8.338377E-02 +1.492660E-03 +2.669269E+00 +1.482479E+00 +7.250461E-02 +1.097959E-03 +3.815372E+00 +3.039000E+00 +2.952621E-02 +1.837209E-04 +7.320176E-02 +1.129240E-03 +2.719836E+00 +1.670890E+00 +8.176774E-02 +1.472662E-03 +4.030045E+00 +3.607044E+00 +3.530219E-02 +2.721266E-04 +8.752165E-02 +1.672625E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -511,86 +511,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -3.072424E+00 -1.910502E+00 -8.487675E-02 -1.467547E-03 -4.502748E+00 -4.073633E+00 -3.505649E-02 -2.616264E-04 -8.691250E-02 -1.608086E-03 -3.358497E+00 -2.340508E+00 -9.563725E-02 -1.882737E-03 -4.919309E+00 -4.997057E+00 -4.012501E-02 -3.331881E-04 -9.947844E-02 -2.047940E-03 -2.841595E+00 -1.676656E+00 -8.961778E-02 -1.706734E-03 -4.382947E+00 -3.971256E+00 -3.977482E-02 -3.476057E-04 -9.861025E-02 -2.136557E-03 -3.031993E+00 -1.887195E+00 -1.005232E-01 -2.088650E-03 -4.706199E+00 -4.537534E+00 -4.558466E-02 -4.340386E-04 -1.130141E-01 -2.667817E-03 -3.116522E+00 -2.011384E+00 -9.595523E-02 -1.977738E-03 -4.627314E+00 -4.456240E+00 -4.188172E-02 -3.906963E-04 -1.038337E-01 -2.401414E-03 -2.906411E+00 -1.724257E+00 -9.583879E-02 -1.902835E-03 -4.514939E+00 -4.188183E+00 -4.337455E-02 -3.935555E-04 -1.075347E-01 -2.418988E-03 -2.723724E+00 -1.514959E+00 -8.518353E-02 -1.512432E-03 -4.173364E+00 -3.561677E+00 -3.761270E-02 -3.039338E-04 -9.324988E-02 -1.868128E-03 -2.336622E+00 -1.158899E+00 -8.017647E-02 -1.335514E-03 -3.700707E+00 -2.838852E+00 -3.695886E-02 -2.855605E-04 -9.162889E-02 -1.755197E-03 +2.643152E+00 +1.461242E+00 +7.777503E-02 +1.277892E-03 +3.881716E+00 +3.158579E+00 +3.318888E-02 +2.353505E-04 +8.228231E-02 +1.446581E-03 +2.707136E+00 +1.528526E+00 +7.153411E-02 +1.046460E-03 +3.793295E+00 +2.976791E+00 +2.857458E-02 +1.671752E-04 +7.084247E-02 +1.027542E-03 +2.745209E+00 +1.561299E+00 +7.557988E-02 +1.164281E-03 +3.914803E+00 +3.154166E+00 +3.099509E-02 +1.948889E-04 +7.684344E-02 +1.197884E-03 +3.141608E+00 +2.000672E+00 +8.238823E-02 +1.366316E-03 +4.442048E+00 +3.976219E+00 +3.282615E-02 +2.177028E-04 +8.138301E-02 +1.338110E-03 +3.078971E+00 +1.928690E+00 +8.927133E-02 +1.655293E-03 +4.508330E+00 +4.154031E+00 +3.778191E-02 +3.038622E-04 +9.366939E-02 +1.867688E-03 +3.342682E+00 +2.353374E+00 +9.542381E-02 +1.892530E-03 +4.916807E+00 +5.068483E+00 +4.010858E-02 +3.330650E-04 +9.943770E-02 +2.047183E-03 +2.906350E+00 +1.760817E+00 +8.559496E-02 +1.527401E-03 +4.338708E+00 +3.888336E+00 +3.663301E-02 +2.834528E-04 +9.082102E-02 +1.742242E-03 +2.201534E+00 +1.026489E+00 +7.361463E-02 +1.156634E-03 +3.444005E+00 +2.510736E+00 +3.352726E-02 +2.491193E-04 +8.312121E-02 +1.531211E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -681,86 +681,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -3.107110E+00 -2.031843E+00 -8.851130E-02 -1.622664E-03 -4.517810E+00 -4.254353E+00 -3.710637E-02 -2.854685E-04 -9.199458E-02 -1.754631E-03 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+6.849773E-02 +9.733415E-04 +3.744876E+00 +2.926356E+00 +2.706771E-02 +1.530408E-04 +6.710661E-02 +9.406650E-04 0.000000E+00 0.000000E+00 0.000000E+00 @@ -851,86 +851,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -2.615843E+00 -1.511122E+00 -8.062716E-02 -1.419946E-03 -3.984393E+00 -3.462948E+00 -3.538715E-02 -2.775562E-04 -8.773227E-02 -1.705998E-03 -2.882570E+00 -1.761817E+00 -8.002023E-02 -1.361536E-03 -4.138232E+00 -3.590378E+00 -3.301403E-02 -2.428126E-04 -8.184882E-02 -1.492447E-03 -3.223528E+00 -2.083805E+00 -8.733159E-02 -1.544129E-03 -4.604746E+00 -4.254674E+00 -3.551662E-02 -2.594309E-04 -8.805326E-02 -1.594591E-03 -2.927536E+00 -1.741281E+00 -8.346281E-02 -1.434485E-03 -4.324501E+00 -3.806148E+00 -3.508574E-02 -2.599007E-04 -8.698503E-02 -1.597479E-03 -3.057707E+00 -1.944892E+00 -8.714384E-02 -1.580757E-03 -4.450690E+00 -4.103723E+00 -3.652244E-02 -2.807333E-04 -9.054690E-02 -1.725526E-03 -2.719115E+00 -1.510843E+00 -7.867244E-02 -1.258358E-03 -3.983708E+00 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+3.650039E-02 +2.691434E-04 +9.049224E-02 +1.654289E-03 +2.532385E+00 +1.341692E+00 +7.908024E-02 +1.289149E-03 +3.816608E+00 +3.020090E+00 +3.480705E-02 +2.494950E-04 +8.629409E-02 +1.533520E-03 +2.946914E+00 +1.857842E+00 +7.586572E-02 +1.217999E-03 +4.089763E+00 +3.522165E+00 +2.980738E-02 +1.901498E-04 +7.389883E-02 +1.168755E-03 +2.788908E+00 +1.667764E+00 +7.477958E-02 +1.148212E-03 +4.029335E+00 +3.403340E+00 +3.033277E-02 +1.914118E-04 +7.520139E-02 +1.176512E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1021,86 +1021,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -3.073244E+00 -2.018709E+00 -9.073696E-02 -1.753157E-03 -4.516776E+00 -4.329334E+00 -3.876727E-02 -3.208452E-04 -9.611233E-02 -1.972074E-03 -2.671039E+00 -1.446563E+00 -7.823234E-02 -1.250837E-03 -3.946269E+00 -3.138681E+00 -3.334746E-02 -2.319341E-04 -8.267545E-02 -1.425582E-03 -3.349978E+00 -2.319515E+00 -9.950325E-02 -2.061329E-03 -5.001138E+00 -5.168172E+00 -4.276928E-02 -3.828620E-04 -1.060342E-01 -2.353260E-03 -2.978936E+00 -1.799523E+00 -9.017252E-02 -1.638102E-03 -4.406186E+00 -3.924003E+00 -3.904232E-02 -3.071501E-04 -9.679424E-02 -1.887897E-03 -2.702401E+00 -1.471209E+00 -7.923417E-02 -1.296139E-03 -4.023502E+00 -3.272988E+00 -3.383397E-02 -2.416414E-04 -8.388161E-02 -1.485248E-03 -2.759858E+00 -1.531505E+00 -8.419492E-02 -1.488052E-03 -4.150314E+00 -3.494954E+00 -3.667250E-02 -2.957414E-04 -9.091893E-02 -1.817773E-03 -2.601272E+00 -1.380301E+00 -8.755772E-02 -1.625699E-03 -4.019486E+00 -3.299452E+00 -3.989786E-02 -3.528389E-04 -9.891530E-02 -2.168723E-03 -2.510230E+00 -1.275856E+00 -8.725714E-02 -1.601325E-03 -3.973851E+00 -3.204497E+00 -4.039490E-02 -3.543820E-04 -1.001476E-01 -2.178208E-03 +3.320603E+00 +2.324411E+00 +9.169756E-02 +1.769612E-03 +4.811447E+00 +4.885591E+00 +3.780490E-02 +3.050758E-04 +9.372640E-02 +1.875147E-03 +3.157638E+00 +2.088634E+00 +8.917486E-02 +1.627414E-03 +4.530493E+00 +4.262890E+00 +3.711278E-02 +2.791427E-04 +9.201048E-02 +1.715750E-03 +2.826797E+00 +1.654653E+00 +8.798649E-02 +1.562942E-03 +4.238099E+00 +3.671654E+00 +3.864939E-02 +3.007708E-04 +9.582007E-02 +1.848687E-03 +2.639291E+00 +1.470166E+00 +8.380168E-02 +1.469150E-03 +3.995402E+00 +3.337545E+00 +3.720130E-02 +2.907469E-04 +9.222996E-02 +1.787075E-03 +2.563883E+00 +1.375196E+00 +8.901196E-02 +1.610331E-03 +4.042903E+00 +3.361278E+00 +4.116155E-02 +3.428545E-04 +1.020482E-01 +2.107354E-03 +2.651467E+00 +1.472579E+00 +7.547436E-02 +1.201468E-03 +3.877983E+00 +3.154531E+00 +3.166886E-02 +2.150564E-04 +7.851384E-02 +1.321843E-03 +2.884789E+00 +1.801722E+00 +7.517555E-02 +1.168857E-03 +4.085136E+00 +3.522983E+00 +2.985774E-02 +1.859368E-04 +7.402368E-02 +1.142860E-03 +2.810664E+00 +1.609682E+00 +6.917229E-02 +9.875658E-04 +3.854296E+00 +3.029615E+00 +2.634304E-02 +1.483398E-04 +6.531000E-02 +9.117703E-04 0.000000E+00 0.000000E+00 0.000000E+00 @@ -1191,86 +1191,86 @@ tally 1: 0.000000E+00 0.000000E+00 0.000000E+00 -2.355419E+00 -1.227267E+00 -7.298104E-02 -1.204355E-03 -3.584952E+00 -2.839605E+00 -3.206831E-02 -2.384737E-04 -7.950416E-02 -1.465778E-03 -2.885415E+00 -1.707496E+00 -8.937354E-02 -1.638109E-03 -4.328343E+00 -3.842717E+00 -3.915662E-02 -3.169623E-04 -9.707761E-02 -1.948208E-03 -2.817788E+00 -1.659313E+00 -8.795245E-02 -1.652827E-03 -4.286382E+00 -3.831800E+00 -3.878123E-02 -3.288848E-04 -9.614692E-02 -2.021489E-03 -2.987432E+00 -1.822564E+00 -8.500598E-02 -1.500428E-03 -4.380470E+00 -3.921075E+00 -3.565649E-02 -2.685990E-04 -8.840004E-02 -1.650943E-03 -2.685515E+00 -1.443739E+00 -8.434998E-02 -1.460545E-03 -4.166156E+00 -3.492673E+00 -3.738938E-02 -2.956120E-04 -9.269624E-02 -1.816978E-03 -2.686749E+00 -1.496524E+00 -8.914589E-02 -1.663073E-03 -4.156201E+00 -3.578378E+00 -4.042946E-02 -3.475741E-04 -1.002332E-01 -2.136363E-03 -2.760305E+00 -1.579416E+00 -8.914803E-02 -1.630935E-03 -4.214440E+00 -3.628492E+00 -3.989038E-02 -3.331009E-04 -9.889676E-02 -2.047404E-03 -2.681752E+00 -1.472982E+00 -8.701435E-02 -1.526110E-03 -4.175631E+00 -3.518871E+00 -3.914441E-02 -3.118235E-04 -9.704732E-02 -1.916622E-03 +3.709821E+00 +2.847102E+00 +1.037249E-01 +2.264974E-03 +5.329369E+00 +5.878403E+00 +4.295875E-02 +3.964777E-04 +1.065039E-01 +2.436949E-03 +3.237824E+00 +2.159909E+00 +9.708289E-02 +1.898400E-03 +4.765807E+00 +4.617662E+00 +4.179332E-02 +3.503645E-04 +1.036145E-01 +2.153514E-03 +2.503072E+00 +1.321745E+00 +6.623202E-02 +9.120239E-04 +3.541728E+00 +2.623055E+00 +2.654018E-02 +1.469478E-04 +6.579875E-02 +9.032144E-04 +2.360183E+00 +1.196310E+00 +7.336179E-02 +1.123869E-03 +3.552179E+00 +2.637131E+00 +3.222538E-02 +2.218615E-04 +7.989359E-02 +1.363671E-03 +2.353136E+00 +1.260383E+00 +7.514099E-02 +1.159881E-03 +3.611322E+00 +2.808437E+00 +3.349306E-02 +2.280172E-04 +8.303643E-02 +1.401507E-03 +2.404559E+00 +1.241962E+00 +6.952417E-02 +1.036673E-03 +3.551485E+00 +2.687553E+00 +2.947110E-02 +1.929942E-04 +7.306514E-02 +1.186238E-03 +2.740499E+00 +1.588007E+00 +7.592011E-02 +1.232446E-03 +3.959573E+00 +3.327411E+00 +3.134446E-02 +2.121705E-04 +7.770960E-02 +1.304106E-03 +2.647586E+00 +1.416013E+00 +7.421099E-02 +1.112815E-03 +3.826931E+00 +2.947306E+00 +3.083732E-02 +1.923794E-04 +7.645229E-02 +1.182459E-03 0.000000E+00 0.000000E+00 0.000000E+00 @@ -2892,15 +2892,15 @@ tally 1: 0.000000E+00 0.000000E+00 tally 2: -4.417493E+01 -3.967273E+02 -4.418714E+01 -3.969466E+02 -7.878379E+00 -1.248770E+01 -7.878666E+00 -1.248861E+01 -1.271565E+02 -3.251279E+03 -1.271565E+02 -3.251279E+03 +3.995283E+01 +3.210141E+02 +3.996387E+01 +3.211916E+02 +6.783537E+00 +9.416330E+00 +6.783789E+00 +9.417032E+00 +1.239468E+02 +3.134204E+03 +1.239468E+02 +3.134204E+03 diff --git a/tests/test_mgxs_library_ce_to_mg/results_true.dat b/tests/test_mgxs_library_ce_to_mg/results_true.dat index c82da3bce..6710c82be 100644 --- a/tests/test_mgxs_library_ce_to_mg/results_true.dat +++ b/tests/test_mgxs_library_ce_to_mg/results_true.dat @@ -1,2 +1,2 @@ k-combined: -1.151644E+00 3.044607E-02 +1.140804E+00 2.937150E-02 From 15e077dd9035411f2c78d964487e063742537754 Mon Sep 17 00:00:00 2001 From: Adam Nelson Date: Sat, 11 Jun 2016 09:22:57 -0400 Subject: [PATCH 5/5] removed unused variables --- src/scattdata_header.F90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/scattdata_header.F90 b/src/scattdata_header.F90 index ee101d63b..2066b36b9 100644 --- a/src/scattdata_header.F90 +++ b/src/scattdata_header.F90 @@ -329,7 +329,7 @@ contains real(8), intent(in) :: coeffs(:, :, :) ! Coefficients to use integer :: imu, gin, gout, groups, order - real(8) :: norm, m, mu0, mu1, p0 + real(8) :: norm real(8), allocatable :: energy(:, :) real(8), allocatable :: matrix(:, :, :)