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baperry2 committed Dec 23, 2024
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12 changes: 11 additions & 1 deletion Ceptr.html
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Expand Up @@ -137,7 +137,8 @@ <h3>Generating Pele-compatible mechanisms for a single chemistry<a class="header
<div class="highlight-rst notranslate"><div class="highlight"><pre><span></span>$ poetry run convert -f ${PELEPHYSICS_HOME}/Mechanisms/${chemistry}/mechanism.yaml \
--chemistry {chemistry-type} \
--gas_name {gas-name} \
--interface_name {interface-name}
--interface_name {interface-name} \
--plog_pressure {value in Pa}
</pre></div>
</div>
<p>The <code class="docutils literal notranslate"><span class="pre">--chemistry</span></code> (or <code class="docutils literal notranslate"><span class="pre">-c</span></code>) argument allows users to convey if the <code class="docutils literal notranslate"><span class="pre">${chemistry}</span></code> of interest is either one of two valid options, namely, <code class="docutils literal notranslate"><span class="pre">homogeneous</span></code> or <code class="docutils literal notranslate"><span class="pre">heterogeneous</span></code>. The default value for <code class="docutils literal notranslate"><span class="pre">{chemistry-type}</span></code> is <code class="docutils literal notranslate"><span class="pre">homogeneous</span></code>.
Expand All @@ -153,6 +154,15 @@ <h3>Generating Pele-compatible mechanisms for a single chemistry<a class="header
<p class="admonition-title">Note</p>
<p>CEPTR interpretations of heterogeneous mechanisms is currently a work in progress.</p>
</div>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>CEPTR offers only partial support for mechanisms with pressure-dependent Arrhenius (PLOG) reactions.
These reactions are fixed to a constant pressure, specified with the <code class="docutils literal notranslate"><span class="pre">--plog_pressure</span></code> argument,
in the CEPTR-generated source code. Mechanisms with PLOG reactions generated in this way are limited
in validity to that specific pressure and would not be suitable for compressible flows with significant
pressure variation. For that reason, source code for these mechanisms is saved in pressure-specific directories, for
example <code class="docutils literal notranslate"><span class="pre">${PELE_PHYSICS_HOME}/Mechanisms/POLIMI2020/1_000atm/</span></code>.</p>
</div>
</li>
<li><p>Using a helper script in the directory containing the <code class="docutils literal notranslate"><span class="pre">mechanism.yaml</span></code> file:</p>
<div class="highlight-rst notranslate"><div class="highlight"><pre><span></span>$ ./convert.sh
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27 changes: 17 additions & 10 deletions _sources/Ceptr.rst.txt
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Expand Up @@ -19,7 +19,7 @@ To install CEPTR dependencies::
$ cd ${PELE_PHYSICS_HOME}/Support/ceptr
$ poetry update

.. note:: Note that the install requires a specific Python version, which is specified in the ``Support/ceptr/pyproject.toml``. If a compatible version exists in your system then poetry will try to find and use it. Otherwise, think about using a `conda <https://conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_ environment to manage packages and their dependencies without tampering with your system.
.. note:: Note that the install requires a specific Python version, which is specified in the ``Support/ceptr/pyproject.toml``. If a compatible version exists in your system then poetry will try to find and use it. Otherwise, think about using a `conda <https://conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_ environment to manage packages and their dependencies without tampering with your system.

Usage
-----
Expand Down Expand Up @@ -48,7 +48,8 @@ There are three ways to use CEPTR to generate C++ mechanism files for a given ch
$ poetry run convert -f ${PELEPHYSICS_HOME}/Mechanisms/${chemistry}/mechanism.yaml \
--chemistry {chemistry-type} \
--gas_name {gas-name} \
--interface_name {interface-name}
--interface_name {interface-name} \
--plog_pressure {value in Pa}

The ``--chemistry`` (or ``-c``) argument allows users to convey if the ``${chemistry}`` of interest is either one of two valid options, namely, ``homogeneous`` or ``heterogeneous``. The default value for ``{chemistry-type}`` is ``homogeneous``.
The ``--gas_name`` argument allows users to specify the names of the homogeneous phase to use, as several different ones can be defined in the corresponding ``mechanism.yaml`` file (under the ``phases:`` item). The default value for ``{gas-name}`` is ``gas``.
Expand All @@ -63,17 +64,25 @@ There are three ways to use CEPTR to generate C++ mechanism files for a given ch

.. note:: CEPTR interpretations of heterogeneous mechanisms is currently a work in progress.

.. note:: CEPTR offers only partial support for mechanisms with pressure-dependent Arrhenius (PLOG) reactions.
These reactions are fixed to a constant pressure, specified with the ``--plog_pressure`` argument,
in the CEPTR-generated source code. Mechanisms with PLOG reactions generated in this way are limited
in validity to that specific pressure and would not be suitable for compressible flows with significant
pressure variation. For that reason, source code for these mechanisms is saved in pressure-specific directories, for
example ``${PELE_PHYSICS_HOME}/Mechanisms/POLIMI2020/1_000atm/``.


2. Using a helper script in the directory containing the ``mechanism.yaml`` file::

$ ./convert.sh

.. note:: It is possible that using this option will require for you to have a valid Cantera installed somewhere. Again, we strongly suggest using a `conda <https://conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_ environment to install all required package. A simple ceptr environment can be generated using the following yaml script::
.. note:: It is possible that using this option will require for you to have a valid Cantera installed somewhere. Again, we strongly suggest using a `conda <https://conda.io/projects/conda/en/latest/user-guide/getting-started.html>`_ environment to install all required package. A simple ceptr environment can be generated using the following yaml script::

$ name: ceptr
$ channels:
$ - conda-forge
$ dependencies:
$ - python=3.10
$ channels:
$ - conda-forge
$ dependencies:
$ - python=3.10
$ - cantera

3. Using a helper script in the ``Mechanisms`` directory::
Expand Down Expand Up @@ -110,7 +119,7 @@ For a detailed description of these options and a further information on the way

To generate a QSS C++ mechanism from the ``.yaml`` file thus created, tailored to your needs, please refer to Tutorials :ref:`Generating NC12H26 QSS mechanism with analytical jacobian <sec_tutqss1>` and :ref:`Generating NC12H26 QSS mechanism without analytical jacobian <sec_tutqss2>`.

Batched generation of Pele-compatible mechanisms
Batched generation of Pele-compatible mechanisms
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

.. note::
Expand Down Expand Up @@ -138,5 +147,3 @@ To generate all mechanisms::
$ poetry run convert -l ${PELE_PHYSICS_HOME}/Mechanisms/list_mech
$ poetry run qssa -lq ${PELE_PHYSICS_HOME}/Mechanisms/list_qss_mech
$ poetry run convert -lq ${PELE_PHYSICS_HOME}/Mechanisms/list_qss_mech


10 changes: 7 additions & 3 deletions _static/js/versions.js
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@@ -1,17 +1,21 @@
const themeFlyoutDisplay = "hidden";
const themeVersionSelector = "True";
const themeLanguageSelector = "True";
const themeVersionSelector = true;
const themeLanguageSelector = true;

if (themeFlyoutDisplay === "attached") {
function renderLanguages(config) {
if (!config.projects.translations.length) {
return "";
}

// Insert the current language to the options on the selector
let languages = config.projects.translations.concat(config.projects.current);
languages = languages.sort((a, b) => a.language.name.localeCompare(b.language.name));

const languagesHTML = `
<dl>
<dt>Languages</dt>
${config.projects.translations
${languages
.map(
(translation) => `
<dd ${translation.slug == config.projects.current.slug ? 'class="rtd-current-item"' : ""}>
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2 changes: 1 addition & 1 deletion searchindex.js

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