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Additional updates for v0.13.1 release

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This commit is contained in:
Patrick Shriwise 2022-10-05 13:12:22 -05:00
parent c8b6a1efad
commit 71c3852c07
8 changed files with 2550 additions and 2078 deletions
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depletion.ipynb
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mdgxs-part-i.ipynb
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mgxs-part-i.ipynb
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@ -355,13 +355,13 @@
"outputs": [],
"source": [
"# Instantiate a few different sections\n",
"total = mgxs.TotalXS(domain=cell, groups=groups)\n",
"absorption = mgxs.AbsorptionXS(domain=cell, groups=groups)\n",
"scattering = mgxs.ScatterXS(domain=cell, groups=groups)\n",
"total = mgxs.TotalXS(domain=cell, energy_groups=groups)\n",
"absorption = mgxs.AbsorptionXS(domain=cell, energy_groups=groups)\n",
"scattering = mgxs.ScatterXS(domain=cell, energy_groups=groups)\n",
"\n",
"# Note that if we wanted to incorporate neutron multiplication in the\n",
"# scattering cross section we would write the previous line as:\n",
"# scattering = mgxs.ScatterXS(domain=cell, groups=groups, nu=True)"
"# scattering = mgxs.ScatterXS(domain=cell, energy_groups=groups, nu=True)"
]
},
{
@ -450,9 +450,9 @@
"name": "stderr",
"output_type": "stream",
"text": [
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mixin.py:67: IDWarning: Another Filter instance already exists with id=3.\n",
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mixin.py:70: IDWarning: Another Filter instance already exists with id=3.\n",
" warn(msg, IDWarning)\n",
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mixin.py:67: IDWarning: Another Filter instance already exists with id=4.\n",
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mixin.py:70: IDWarning: Another Filter instance already exists with id=4.\n",
" warn(msg, IDWarning)\n"
]
},
@ -487,20 +487,20 @@
" | The OpenMC Monte Carlo Code\n",
" Copyright | 2011-2022 MIT, UChicago Argonne LLC, and contributors\n",
" License | https://docs.openmc.org/en/latest/license.html\n",
" Version | 0.13.1-dev\n",
" Git SHA1 | 1be02f90bd0e9adb5a3311ee77c904a52ca7ebaa\n",
" Date/Time | 2022-05-11 23:29:23\n",
" Version | 0.13.1\n",
" Git SHA1 | 33bc948f4b855c037975f16d16091fe4ecd12de3\n",
" Date/Time | 2022-10-04 12:30:35\n",
" OpenMP Threads | 2\n",
"\n",
" Reading settings XML file...\n",
" Reading cross sections XML file...\n",
" Reading materials XML file...\n",
" Reading geometry XML file...\n",
" Reading H1 from /home/pshriwise/data/xs/openmc/endfb71_hdf5/H1.h5\n",
" Reading O16 from /home/pshriwise/data/xs/openmc/endfb71_hdf5/O16.h5\n",
" Reading U235 from /home/pshriwise/data/xs/openmc/endfb71_hdf5/U235.h5\n",
" Reading U238 from /home/pshriwise/data/xs/openmc/endfb71_hdf5/U238.h5\n",
" Reading Zr90 from /home/pshriwise/data/xs/openmc/endfb71_hdf5/Zr90.h5\n",
" Reading H1 from /home/pshriwise/data/xs/openmc/nndc_hdf5/H1.h5\n",
" Reading O16 from /home/pshriwise/data/xs/openmc/nndc_hdf5/O16.h5\n",
" Reading U235 from /home/pshriwise/data/xs/openmc/nndc_hdf5/U235.h5\n",
" Reading U238 from /home/pshriwise/data/xs/openmc/nndc_hdf5/U238.h5\n",
" Reading Zr90 from /home/pshriwise/data/xs/openmc/nndc_hdf5/Zr90.h5\n",
" Minimum neutron data temperature: 294 K\n",
" Maximum neutron data temperature: 294 K\n",
" Reading tallies XML file...\n",
@ -514,82 +514,82 @@
"\n",
" Bat./Gen. k Average k\n",
" ========= ======== ====================\n",
" 1/1 1.15552\n",
" 2/1 1.16733\n",
" 3/1 1.17357\n",
" 4/1 1.12104\n",
" 5/1 1.15371\n",
" 6/1 1.12495\n",
" 7/1 1.19449\n",
" 8/1 1.20011\n",
" 9/1 1.16787\n",
" 10/1 1.14804\n",
" 11/1 1.10848\n",
" 12/1 1.13356 1.12102 +/- 0.01254\n",
" 13/1 1.15809 1.13337 +/- 0.01432\n",
" 14/1 1.15677 1.13922 +/- 0.01170\n",
" 15/1 1.17172 1.14572 +/- 0.01115\n",
" 16/1 1.24178 1.16173 +/- 0.01842\n",
" 17/1 1.12127 1.15595 +/- 0.01660\n",
" 18/1 1.14862 1.15503 +/- 0.01441\n",
" 19/1 1.19389 1.15935 +/- 0.01342\n",
" 20/1 1.13333 1.15675 +/- 0.01228\n",
" 21/1 1.11797 1.15322 +/- 0.01166\n",
" 22/1 1.15630 1.15348 +/- 0.01064\n",
" 23/1 1.19152 1.15641 +/- 0.01022\n",
" 24/1 1.15088 1.15601 +/- 0.00947\n",
" 25/1 1.18286 1.15780 +/- 0.00899\n",
" 26/1 1.13381 1.15630 +/- 0.00855\n",
" 27/1 1.15178 1.15604 +/- 0.00803\n",
" 28/1 1.15118 1.15577 +/- 0.00758\n",
" 29/1 1.12090 1.15393 +/- 0.00740\n",
" 30/1 1.18609 1.15554 +/- 0.00720\n",
" 31/1 1.20145 1.15773 +/- 0.00719\n",
" 32/1 1.12612 1.15629 +/- 0.00700\n",
" 33/1 1.17661 1.15717 +/- 0.00675\n",
" 34/1 1.17043 1.15773 +/- 0.00649\n",
" 35/1 1.16430 1.15799 +/- 0.00623\n",
" 36/1 1.13257 1.15701 +/- 0.00606\n",
" 37/1 1.11728 1.15554 +/- 0.00602\n",
" 38/1 1.18588 1.15662 +/- 0.00590\n",
" 39/1 1.19931 1.15809 +/- 0.00588\n",
" 40/1 1.13642 1.15737 +/- 0.00572\n",
" 41/1 1.17784 1.15803 +/- 0.00558\n",
" 42/1 1.15119 1.15782 +/- 0.00540\n",
" 43/1 1.16841 1.15814 +/- 0.00525\n",
" 44/1 1.18698 1.15899 +/- 0.00516\n",
" 45/1 1.10199 1.15736 +/- 0.00527\n",
" 46/1 1.13452 1.15672 +/- 0.00516\n",
" 47/1 1.11975 1.15573 +/- 0.00512\n",
" 48/1 1.15899 1.15581 +/- 0.00498\n",
" 49/1 1.12582 1.15504 +/- 0.00491\n",
" 50/1 1.12809 1.15437 +/- 0.00483\n",
" 1/1 1.18505\n",
" 2/1 1.17297\n",
" 3/1 1.16184\n",
" 4/1 1.14929\n",
" 5/1 1.09928\n",
" 6/1 1.18675\n",
" 7/1 1.19772\n",
" 8/1 1.17470\n",
" 9/1 1.17208\n",
" 10/1 1.09993\n",
" 11/1 1.14342\n",
" 12/1 1.10127 1.12234 +/- 0.02107\n",
" 13/1 1.19914 1.14794 +/- 0.02834\n",
" 14/1 1.18411 1.15698 +/- 0.02199\n",
" 15/1 1.14556 1.15470 +/- 0.01718\n",
" 16/1 1.20337 1.16281 +/- 0.01621\n",
" 17/1 1.13853 1.15934 +/- 0.01413\n",
" 18/1 1.18208 1.16218 +/- 0.01256\n",
" 19/1 1.11842 1.15732 +/- 0.01210\n",
" 20/1 1.15248 1.15684 +/- 0.01083\n",
" 21/1 1.14903 1.15613 +/- 0.00982\n",
" 22/1 1.23456 1.16266 +/- 0.01110\n",
" 23/1 1.18876 1.16467 +/- 0.01040\n",
" 24/1 1.13591 1.16262 +/- 0.00985\n",
" 25/1 1.19559 1.16481 +/- 0.00943\n",
" 26/1 1.16947 1.16511 +/- 0.00882\n",
" 27/1 1.13198 1.16316 +/- 0.00851\n",
" 28/1 1.15329 1.16261 +/- 0.00805\n",
" 29/1 1.16538 1.16275 +/- 0.00761\n",
" 30/1 1.18229 1.16373 +/- 0.00729\n",
" 31/1 1.15060 1.16311 +/- 0.00696\n",
" 32/1 1.15460 1.16272 +/- 0.00665\n",
" 33/1 1.13875 1.16168 +/- 0.00644\n",
" 34/1 1.13479 1.16056 +/- 0.00626\n",
" 35/1 1.21125 1.16258 +/- 0.00634\n",
" 36/1 1.15914 1.16245 +/- 0.00609\n",
" 37/1 1.10457 1.16031 +/- 0.00624\n",
" 38/1 1.17215 1.16073 +/- 0.00603\n",
" 39/1 1.18462 1.16155 +/- 0.00588\n",
" 40/1 1.15361 1.16129 +/- 0.00568\n",
" 41/1 1.14983 1.16092 +/- 0.00551\n",
" 42/1 1.14087 1.16029 +/- 0.00537\n",
" 43/1 1.18725 1.16111 +/- 0.00527\n",
" 44/1 1.19094 1.16199 +/- 0.00519\n",
" 45/1 1.17371 1.16232 +/- 0.00505\n",
" 46/1 1.18552 1.16297 +/- 0.00495\n",
" 47/1 1.14194 1.16240 +/- 0.00485\n",
" 48/1 1.12045 1.16130 +/- 0.00484\n",
" 49/1 1.18476 1.16190 +/- 0.00476\n",
" 50/1 1.17063 1.16212 +/- 0.00464\n",
" Creating state point statepoint.50.h5...\n",
"\n",
" =======================> TIMING STATISTICS <=======================\n",
"\n",
" Total time for initialization = 1.2841e-01 seconds\n",
" Reading cross sections = 1.2456e-01 seconds\n",
" Total time in simulation = 2.7131e+00 seconds\n",
" Time in transport only = 2.7038e+00 seconds\n",
" Time in inactive batches = 2.9116e-01 seconds\n",
" Time in active batches = 2.4219e+00 seconds\n",
" Time synchronizing fission bank = 5.1996e-03 seconds\n",
" Sampling source sites = 4.3432e-03 seconds\n",
" SEND/RECV source sites = 8.4443e-04 seconds\n",
" Time accumulating tallies = 2.4355e-04 seconds\n",
" Time writing statepoints = 2.3963e-03 seconds\n",
" Total time for finalization = 6.0680e-05 seconds\n",
" Total time elapsed = 2.8438e+00 seconds\n",
" Calculation Rate (inactive) = 85862.4 particles/second\n",
" Calculation Rate (active) = 41289.8 particles/second\n",
" Total time for initialization = 7.5024e-01 seconds\n",
" Reading cross sections = 7.4182e-01 seconds\n",
" Total time in simulation = 1.9857e+01 seconds\n",
" Time in transport only = 1.9835e+01 seconds\n",
" Time in inactive batches = 2.4766e+00 seconds\n",
" Time in active batches = 1.7380e+01 seconds\n",
" Time synchronizing fission bank = 1.1568e-02 seconds\n",
" Sampling source sites = 1.0777e-02 seconds\n",
" SEND/RECV source sites = 7.5224e-04 seconds\n",
" Time accumulating tallies = 3.8921e-04 seconds\n",
" Time writing statepoints = 3.0584e-03 seconds\n",
" Total time for finalization = 1.9732e-04 seconds\n",
" Total time elapsed = 2.0619e+01 seconds\n",
" Calculation Rate (inactive) = 10094.3 particles/second\n",
" Calculation Rate (active) = 5753.6 particles/second\n",
"\n",
" ============================> RESULTS <============================\n",
"\n",
" k-effective (Collision) = 1.15560 +/- 0.00487\n",
" k-effective (Track-length) = 1.15437 +/- 0.00483\n",
" k-effective (Absorption) = 1.15879 +/- 0.00318\n",
" Combined k-effective = 1.15743 +/- 0.00304\n",
" k-effective (Collision) = 1.16239 +/- 0.00461\n",
" k-effective (Track-length) = 1.16212 +/- 0.00464\n",
" k-effective (Absorption) = 1.15435 +/- 0.00325\n",
" Combined k-effective = 1.15666 +/- 0.00304\n",
" Leakage Fraction = 0.00000 +/- 0.00000\n",
"\n"
]
@ -687,8 +687,8 @@
"\tDomain Type =\tcell\n",
"\tDomain ID =\t1\n",
"\tCross Sections [cm^-1]:\n",
" Group 1 [0.625 - 20000000.0eV]:\t6.82e-01 +/- 2.16e-01%\n",
" Group 2 [0.0 - 0.625 eV]:\t1.40e+00 +/- 6.49e-01%\n",
" Group 1 [0.625 - 20000000.0eV]:\t6.81e-01 +/- 2.69e-01%\n",
" Group 2 [0.0 - 0.625 eV]:\t1.40e+00 +/- 6.00e-01%\n",
"\n",
"\n",
"\n"
@ -745,16 +745,16 @@
" <td>1</td>\n",
" <td>1</td>\n",
" <td>total</td>\n",
" <td>0.668519</td>\n",
" <td>0.001449</td>\n",
" <td>0.668083</td>\n",
" <td>0.001798</td>\n",
" </tr>\n",
" <tr>\n",
" <th>0</th>\n",
" <td>1</td>\n",
" <td>2</td>\n",
" <td>total</td>\n",
" <td>1.292665</td>\n",
" <td>0.008362</td>\n",
" <td>1.292060</td>\n",
" <td>0.007737</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
@ -762,8 +762,8 @@
],
"text/plain": [
" cell group in nuclide mean std. dev.\n",
"1 1 1 total 0.668519 0.001449\n",
"0 1 2 total 1.292665 0.008362"
"1 1 1 total 0.668083 0.001798\n",
"0 1 2 total 1.292060 0.007737"
]
},
"execution_count": 19,
@ -792,7 +792,7 @@
"name": "stderr",
"output_type": "stream",
"text": [
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mgxs/mgxs.py:1994: FutureWarning: As the xlwt package is no longer maintained, the xlwt engine will be removed in a future version of pandas. This is the only engine in pandas that supports writing in the xls format. Install openpyxl and write to an xlsx file instead. You can set the option io.excel.xls.writer to 'xlwt' to silence this warning. While this option is deprecated and will also raise a warning, it can be globally set and the warning suppressed.\n",
"/home/pshriwise/.pyenv/versions/3.9.1/lib/python3.9/site-packages/openmc/mgxs/mgxs.py:2007: FutureWarning: As the xlwt package is no longer maintained, the xlwt engine will be removed in a future version of pandas. This is the only engine in pandas that supports writing in the xls format. Install openpyxl and write to an xlsx file instead. You can set the option io.excel.xls.writer to 'xlwt' to silence this warning. While this option is deprecated and will also raise a warning, it can be globally set and the warning suppressed.\n",
" df.to_excel(filename + '.xls', index=False)\n"
]
}
@ -876,8 +876,8 @@
" <td>6.250000e-01</td>\n",
" <td>total</td>\n",
" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
" <td>-2.442491e-15</td>\n",
" <td>0.012361</td>\n",
" <td>1.110223e-15</td>\n",
" <td>0.011435</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
@ -886,8 +886,8 @@
" <td>2.000000e+07</td>\n",
" <td>total</td>\n",
" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
" <td>3.996803e-15</td>\n",
" <td>0.002069</td>\n",
" <td>-2.997602e-15</td>\n",
" <td>0.002567</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
@ -899,8 +899,8 @@
"1 1 6.25e-01 2.00e+07 total \n",
"\n",
" score mean std. dev. \n",
"0 (((total / flux) - (absorption / flux)) - (sca... -2.44e-15 1.24e-02 \n",
"1 (((total / flux) - (absorption / flux)) - (sca... 4.00e-15 2.07e-03 "
"0 (((total / flux) - (absorption / flux)) - (sca... 1.11e-15 1.14e-02 \n",
"1 (((total / flux) - (absorption / flux)) - (sca... -3.00e-15 2.57e-03 "
]
},
"execution_count": 22,
@ -966,8 +966,8 @@
" <td>6.250000e-01</td>\n",
" <td>total</td>\n",
" <td>((absorption / flux) / (total / flux))</td>\n",
" <td>0.076155</td>\n",
" <td>0.000712</td>\n",
" <td>0.076103</td>\n",
" <td>0.000658</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
@ -976,8 +976,8 @@
" <td>2.000000e+07</td>\n",
" <td>total</td>\n",
" <td>((absorption / flux) / (total / flux))</td>\n",
" <td>0.019411</td>\n",
" <td>0.000091</td>\n",
" <td>0.019441</td>\n",
" <td>0.000093</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
@ -989,8 +989,8 @@
"1 1 6.25e-01 2.00e+07 total \n",
"\n",
" score mean std. dev. \n",
"0 ((absorption / flux) / (total / flux)) 7.62e-02 7.12e-04 \n",
"1 ((absorption / flux) / (total / flux)) 1.94e-02 9.08e-05 "
"0 ((absorption / flux) / (total / flux)) 7.61e-02 6.58e-04 \n",
"1 ((absorption / flux) / (total / flux)) 1.94e-02 9.26e-05 "
]
},
"execution_count": 23,
@ -1049,8 +1049,8 @@
" <td>6.250000e-01</td>\n",
" <td>total</td>\n",
" <td>((scatter / flux) / (total / flux))</td>\n",
" <td>0.923845</td>\n",
" <td>0.008463</td>\n",
" <td>0.923897</td>\n",
" <td>0.007833</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
@ -1059,8 +1059,8 @@
" <td>2.000000e+07</td>\n",
" <td>total</td>\n",
" <td>((scatter / flux) / (total / flux))</td>\n",
" <td>0.980589</td>\n",
" <td>0.003003</td>\n",
" <td>0.980559</td>\n",
" <td>0.003729</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
@ -1072,8 +1072,8 @@
"1 1 6.25e-01 2.00e+07 total \n",
"\n",
" score mean std. dev. \n",
"0 ((scatter / flux) / (total / flux)) 9.24e-01 8.46e-03 \n",
"1 ((scatter / flux) / (total / flux)) 9.81e-01 3.00e-03 "
"0 ((scatter / flux) / (total / flux)) 9.24e-01 7.83e-03 \n",
"1 ((scatter / flux) / (total / flux)) 9.81e-01 3.73e-03 "
]
},
"execution_count": 24,
@ -1140,7 +1140,7 @@
" <td>total</td>\n",
" <td>(((absorption / flux) / (total / flux)) + ((sc...</td>\n",
" <td>1.0</td>\n",
" <td>0.008492</td>\n",
" <td>0.007861</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
@ -1150,7 +1150,7 @@
" <td>total</td>\n",
" <td>(((absorption / flux) / (total / flux)) + ((sc...</td>\n",
" <td>1.0</td>\n",
" <td>0.003005</td>\n",
" <td>0.003731</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
@ -1162,8 +1162,8 @@
"1 1 6.25e-01 2.00e+07 total \n",
"\n",
" score mean std. dev. \n",
"0 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 8.49e-03 \n",
"1 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 3.00e-03 "
"0 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 7.86e-03 \n",
"1 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 3.73e-03 "
]
},
"execution_count": 25,

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@ -970,7 +970,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
@ -984,9 +984,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.3"
"version": "3.9.1"
}
},
"nbformat": 4,
"nbformat_minor": 1
"nbformat_minor": 4
}