forked from crp/openmc-designs
Merge pull request #1 from pshriwise/updates
Updates to notebooks to use openmc.Model and correct for API changes
This commit is contained in:
Paul Romano
GitHub
commit
1a00832a32
8 changed files with 2948 additions and 2229 deletions
762
depletion.ipynb
762
depletion.ipynb
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@ -144,6 +144,16 @@
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"import openmc.mgxs as mgxs"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 3,
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"metadata": {},
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"outputs": [],
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"source": [
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"# create a model object to tie geometry, materials, settings, and tallies together\n",
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"model = openmc.Model()"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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@ -153,7 +163,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 3,
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"execution_count": 4,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -176,13 +186,12 @@
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},
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{
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"cell_type": "code",
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"execution_count": 4,
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"execution_count": 5,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a Materials collection and export to XML\n",
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"materials_file = openmc.Materials([inf_medium])\n",
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"materials_file.export_to_xml()"
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"model.materials = openmc.Materials([inf_medium])"
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]
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},
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{
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@ -194,7 +203,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 5,
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"execution_count": 6,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -214,7 +223,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 6,
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"execution_count": 7,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -237,7 +246,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 7,
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"execution_count": 8,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -254,15 +263,12 @@
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},
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{
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"cell_type": "code",
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"execution_count": 8,
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"execution_count": 9,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Create Geometry and set root Universe\n",
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"openmc_geometry = openmc.Geometry(root_universe)\n",
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"\n",
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"# Export to \"geometry.xml\"\n",
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"openmc_geometry.export_to_xml()"
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"model.geometry = openmc.Geometry(root_universe)"
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]
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},
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{
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@ -274,7 +280,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 9,
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"execution_count": 10,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -284,19 +290,18 @@
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"particles = 2500\n",
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"\n",
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"# Instantiate a Settings object\n",
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"settings_file = openmc.Settings()\n",
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"settings_file.batches = batches\n",
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"settings_file.inactive = inactive\n",
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"settings_file.particles = particles\n",
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"settings_file.output = {'tallies': True}\n",
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"settings = openmc.Settings()\n",
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"settings.batches = batches\n",
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"settings.inactive = inactive\n",
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"settings.particles = particles\n",
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"settings.output = {'tallies': True}\n",
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"\n",
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"# Create an initial uniform spatial source distribution over fissionable zones\n",
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"bounds = [-0.63, -0.63, -0.63, 0.63, 0.63, 0.63]\n",
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"uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)\n",
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"settings_file.source = openmc.Source(space=uniform_dist)\n",
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"settings.source = openmc.Source(space=uniform_dist)\n",
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"\n",
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"# Export to \"settings.xml\"\n",
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"settings_file.export_to_xml()"
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"model.settings = settings"
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]
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},
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{
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@ -308,7 +313,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 10,
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"execution_count": 11,
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"metadata": {},
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"outputs": [],
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"source": [
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@ -345,18 +350,18 @@
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},
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{
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"cell_type": "code",
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"execution_count": 11,
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"execution_count": 12,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Instantiate a few different sections\n",
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"total = mgxs.TotalXS(domain=cell, groups=groups)\n",
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"absorption = mgxs.AbsorptionXS(domain=cell, groups=groups)\n",
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"scattering = mgxs.ScatterXS(domain=cell, groups=groups)\n",
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"total = mgxs.TotalXS(domain=cell, energy_groups=groups)\n",
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"absorption = mgxs.AbsorptionXS(domain=cell, energy_groups=groups)\n",
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"scattering = mgxs.ScatterXS(domain=cell, energy_groups=groups)\n",
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"\n",
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"# Note that if we wanted to incorporate neutron multiplication in the\n",
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"# scattering cross section we would write the previous line as:\n",
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"# scattering = mgxs.ScatterXS(domain=cell, groups=groups, nu=True)"
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"# scattering = mgxs.ScatterXS(domain=cell, energy_groups=groups, nu=True)"
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]
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},
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{
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@ -368,7 +373,7 @@
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},
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{
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"cell_type": "code",
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"execution_count": 12,
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"execution_count": 13,
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"metadata": {},
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"outputs": [
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{
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@ -392,7 +397,7 @@
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" \tEstimator =\ttracklength)])"
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]
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},
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"execution_count": 12,
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"execution_count": 13,
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"metadata": {},
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"output_type": "execute_result"
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}
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@ -410,35 +415,23 @@
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},
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{
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"cell_type": "code",
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"execution_count": 13,
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"execution_count": 14,
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"metadata": {},
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"outputs": [
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{
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"name": "stderr",
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"output_type": "stream",
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"text": [
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"/home/shriwise/opt/openmc/openmc/openmc/mixin.py:68: IDWarning: Another Filter instance already exists with id=3.\n",
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" warn(msg, IDWarning)\n",
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"/home/shriwise/opt/openmc/openmc/openmc/mixin.py:68: IDWarning: Another Filter instance already exists with id=4.\n",
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" warn(msg, IDWarning)\n"
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]
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}
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],
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"outputs": [],
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"source": [
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"# Instantiate an empty Tallies object\n",
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"tallies_file = openmc.Tallies()\n",
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"tallies = openmc.Tallies()\n",
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"\n",
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"# Add total tallies to the tallies file\n",
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"tallies_file += total.tallies.values()\n",
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"tallies += total.tallies.values()\n",
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"\n",
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"# Add absorption tallies to the tallies file\n",
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"tallies_file += absorption.tallies.values()\n",
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"tallies += absorption.tallies.values()\n",
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"\n",
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"# Add scattering tallies to the tallies file\n",
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"tallies_file += scattering.tallies.values()\n",
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"tallies += scattering.tallies.values()\n",
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"\n",
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"# Export to \"tallies.xml\"\n",
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"tallies_file.export_to_xml()"
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"model.tallies = tallies"
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]
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},
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{
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@ -450,9 +443,19 @@
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},
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{
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"cell_type": "code",
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"execution_count": 14,
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"execution_count": 15,
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"metadata": {},
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"outputs": [
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{
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"name": "stderr",
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"output_type": "stream",
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"text": [
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"/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",
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" warn(msg, IDWarning)\n",
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"/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",
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" warn(msg, IDWarning)\n"
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]
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},
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{
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"name": "stdout",
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"output_type": "stream",
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@ -481,29 +484,30 @@
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" ######## %%%%%%%%%%%%%%\n",
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" %%%%%%%%%%%\n",
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"\n",
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" | The OpenMC Monte Carlo Code\n",
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" Copyright | 2011-2021 MIT and OpenMC contributors\n",
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" License | https://docs.openmc.org/en/latest/license.html\n",
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" Version | 0.13.0-dev\n",
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" Git SHA1 | 3dd81a1316ac3b5a0633e4b7a290f3bc97a066d9\n",
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" Date/Time | 2021-06-28 08:44:52\n",
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" OpenMP Threads | 2\n",
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" | The OpenMC Monte Carlo Code\n",
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" Copyright | 2011-2022 MIT, UChicago Argonne LLC, and contributors\n",
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" License | https://docs.openmc.org/en/latest/license.html\n",
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" Version | 0.13.1\n",
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" Git SHA1 | 33bc948f4b855c037975f16d16091fe4ecd12de3\n",
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" Date/Time | 2022-10-04 12:30:35\n",
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" OpenMP Threads | 2\n",
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"\n",
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" Reading settings XML file...\n",
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" Reading cross sections XML file...\n",
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" Reading materials XML file...\n",
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" Reading geometry XML file...\n",
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" Reading H1 from /opt/data/xs/nndc_hdf5/H1.h5\n",
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" Reading O16 from /opt/data/xs/nndc_hdf5/O16.h5\n",
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" Reading U235 from /opt/data/xs/nndc_hdf5/U235.h5\n",
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" Reading U238 from /opt/data/xs/nndc_hdf5/U238.h5\n",
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" Reading Zr90 from /opt/data/xs/nndc_hdf5/Zr90.h5\n",
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" Minimum neutron data temperature: 294.0 K\n",
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" Maximum neutron data temperature: 294.0 K\n",
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" Reading H1 from /home/pshriwise/data/xs/openmc/nndc_hdf5/H1.h5\n",
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" Reading O16 from /home/pshriwise/data/xs/openmc/nndc_hdf5/O16.h5\n",
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" Reading U235 from /home/pshriwise/data/xs/openmc/nndc_hdf5/U235.h5\n",
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" Reading U238 from /home/pshriwise/data/xs/openmc/nndc_hdf5/U238.h5\n",
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" Reading Zr90 from /home/pshriwise/data/xs/openmc/nndc_hdf5/Zr90.h5\n",
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" Minimum neutron data temperature: 294 K\n",
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" Maximum neutron data temperature: 294 K\n",
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" Reading tallies XML file...\n",
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" Preparing distributed cell instances...\n",
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" Reading plot XML file...\n",
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" Writing summary.h5 file...\n",
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" Maximum neutron transport energy: 20000000.0 eV for H1\n",
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" Maximum neutron transport energy: 20000000 eV for H1\n",
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" Initializing source particles...\n",
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"\n",
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" ====================> K EIGENVALUE SIMULATION <====================\n",
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"\n",
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" =======================> TIMING STATISTICS <=======================\n",
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"\n",
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" Total time for initialization = 2.9038e-01 seconds\n",
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" Reading cross sections = 2.7861e-01 seconds\n",
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" Total time in simulation = 3.9987e+00 seconds\n",
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" Time in transport only = 3.9829e+00 seconds\n",
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" Time in inactive batches = 4.9461e-01 seconds\n",
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" Time in active batches = 3.5041e+00 seconds\n",
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" Time synchronizing fission bank = 5.2042e-03 seconds\n",
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" Sampling source sites = 4.4431e-03 seconds\n",
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" SEND/RECV source sites = 7.3804e-04 seconds\n",
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" Time accumulating tallies = 3.6977e-04 seconds\n",
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" Time writing statepoints = 6.6301e-03 seconds\n",
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" Total time for finalization = 1.9945e-04 seconds\n",
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" Total time elapsed = 4.2948e+00 seconds\n",
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" Calculation Rate (inactive) = 50544.8 particles/second\n",
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" Calculation Rate (active) = 28537.8 particles/second\n",
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" Total time for initialization = 7.5024e-01 seconds\n",
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" Reading cross sections = 7.4182e-01 seconds\n",
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" Total time in simulation = 1.9857e+01 seconds\n",
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" Time in transport only = 1.9835e+01 seconds\n",
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" Time in inactive batches = 2.4766e+00 seconds\n",
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" Time in active batches = 1.7380e+01 seconds\n",
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" Time synchronizing fission bank = 1.1568e-02 seconds\n",
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" Sampling source sites = 1.0777e-02 seconds\n",
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" SEND/RECV source sites = 7.5224e-04 seconds\n",
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" Time accumulating tallies = 3.8921e-04 seconds\n",
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" Time writing statepoints = 3.0584e-03 seconds\n",
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" Total time for finalization = 1.9732e-04 seconds\n",
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" Total time elapsed = 2.0619e+01 seconds\n",
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" Calculation Rate (inactive) = 10094.3 particles/second\n",
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" Calculation Rate (active) = 5753.6 particles/second\n",
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"\n",
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" ============================> RESULTS <============================\n",
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"\n",
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],
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"source": [
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"# Run OpenMC\n",
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"openmc.run()"
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"statepoint_filename = model.run()"
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]
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},
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{
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},
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{
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"cell_type": "code",
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"execution_count": 15,
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"execution_count": 16,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Load the last statepoint file\n",
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"sp = openmc.StatePoint('statepoint.50.h5')"
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"sp = openmc.StatePoint(statepoint_filename)"
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]
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},
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{
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},
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"execution_count": 16,
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"execution_count": 17,
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"metadata": {},
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"outputs": [],
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"source": [
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"execution_count": 17,
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"execution_count": 18,
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"metadata": {},
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"outputs": [
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"cell_type": "code",
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"execution_count": 18,
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"execution_count": 19,
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"metadata": {},
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"outputs": [
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{
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"0 1 2 total 1.292060 0.007737"
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]
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},
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"execution_count": 18,
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"execution_count": 19,
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"metadata": {},
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"output_type": "execute_result"
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}
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},
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"execution_count": 19,
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"metadata": {},
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"outputs": [],
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"outputs": [
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"name": "stderr",
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"output_type": "stream",
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"text": [
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"/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",
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" df.to_excel(filename + '.xls', index=False)\n"
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]
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}
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],
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"source": [
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"absorption.export_xs_data(filename='absorption-xs', format='excel')"
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]
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},
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"metadata": {},
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"outputs": [],
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"source": [
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},
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"execution_count": 22,
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"metadata": {},
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"outputs": [
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{
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" <td>6.250000e-01</td>\n",
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" <td>total</td>\n",
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" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
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" <td>4.440892e-16</td>\n",
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" <td>1.110223e-15</td>\n",
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" <td>0.011435</td>\n",
|
||||
" </tr>\n",
|
||||
" <tr>\n",
|
||||
|
|
@ -873,7 +886,7 @@
|
|||
" <td>2.000000e+07</td>\n",
|
||||
" <td>total</td>\n",
|
||||
" <td>(((total / flux) - (absorption / flux)) - (sca...</td>\n",
|
||||
" <td>-2.553513e-15</td>\n",
|
||||
" <td>-2.997602e-15</td>\n",
|
||||
" <td>0.002567</td>\n",
|
||||
" </tr>\n",
|
||||
" </tbody>\n",
|
||||
|
|
@ -886,11 +899,11 @@
|
|||
"1 1 6.25e-01 2.00e+07 total \n",
|
||||
"\n",
|
||||
" score mean std. dev. \n",
|
||||
"0 (((total / flux) - (absorption / flux)) - (sca... 4.44e-16 1.14e-02 \n",
|
||||
"1 (((total / flux) - (absorption / flux)) - (sca... -2.55e-15 2.57e-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": 21,
|
||||
"execution_count": 22,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
|
|
@ -912,7 +925,7 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 22,
|
||||
"execution_count": 23,
|
||||
"metadata": {},
|
||||
"outputs": [
|
||||
{
|
||||
|
|
@ -980,7 +993,7 @@
|
|||
"1 ((absorption / flux) / (total / flux)) 1.94e-02 9.26e-05 "
|
||||
]
|
||||
},
|
||||
"execution_count": 22,
|
||||
"execution_count": 23,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
|
|
@ -995,7 +1008,7 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 23,
|
||||
"execution_count": 24,
|
||||
"metadata": {},
|
||||
"outputs": [
|
||||
{
|
||||
|
|
@ -1063,7 +1076,7 @@
|
|||
"1 ((scatter / flux) / (total / flux)) 9.81e-01 3.73e-03 "
|
||||
]
|
||||
},
|
||||
"execution_count": 23,
|
||||
"execution_count": 24,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
|
|
@ -1085,7 +1098,7 @@
|
|||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": 24,
|
||||
"execution_count": 25,
|
||||
"metadata": {},
|
||||
"outputs": [
|
||||
{
|
||||
|
|
@ -1153,7 +1166,7 @@
|
|||
"1 (((absorption / flux) / (total / flux)) + ((sc... 1.00e+00 3.73e-03 "
|
||||
]
|
||||
},
|
||||
"execution_count": 24,
|
||||
"execution_count": 25,
|
||||
"metadata": {},
|
||||
"output_type": "execute_result"
|
||||
}
|
||||
|
|
@ -1169,7 +1182,7 @@
|
|||
],
|
||||
"metadata": {
|
||||
"kernelspec": {
|
||||
"display_name": "Python 3",
|
||||
"display_name": "Python 3 (ipykernel)",
|
||||
"language": "python",
|
||||
"name": "python3"
|
||||
},
|
||||
|
|
@ -1183,9 +1196,9 @@
|
|||
"name": "python",
|
||||
"nbconvert_exporter": "python",
|
||||
"pygments_lexer": "ipython3",
|
||||
"version": "3.7.3"
|
||||
"version": "3.9.1"
|
||||
}
|
||||
},
|
||||
"nbformat": 4,
|
||||
"nbformat_minor": 1
|
||||
"nbformat_minor": 4
|
||||
}
|
||||
|
|
|
|||
3075
mgxs-part-ii.ipynb
3075
mgxs-part-ii.ipynb
File diff suppressed because one or more lines are too long
File diff suppressed because one or more lines are too long
|
|
@ -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
|
||||
}
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue