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@@ -276,26 +276,31 @@ Running Examples
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A number of basic examples can be run immediately. Additional example input files can be found in the ``RMG-Py/examples`` folder. Please read more on :ref:`Example Input Files <examples>` in the documentation.
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#. **Minimal Example**: this will run an Ethane pyrolysis model. It should take less than a minute to complete. The results will be in the ``RMG-Py/testing/minimal`` folder::
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#. **Minimal Example**: this will run an Ethane pyrolysis model. It should take less than a minute to complete. The results will be in the ``RMG-Py/testing/eg1`` folder::
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cd RMG-Py
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make eg1
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#. **Hexadiene Example**: this will run a Hexadiene model with pressure dependence and QMTP. Note that you must have MOPAC installed for this to run. The results will be in the ``RMG-Py/testing/hexadiene`` folder::
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#. **Hexadiene Example**: this will run a Hexadiene model with pressure dependence and QMTP. Note that you must have MOPAC installed for this to run. The results will be in the ``RMG-Py/testing/eg2`` folder::
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cd RMG-Py
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make eg2
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#. **Liquid Phase Example**: this will run a liquid phase RMG model. The results will be in the ``RMG-Py/testing/liquid_phase`` folder ::
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#. **Liquid Phase Example**: this will run a liquid phase RMG model. The results will be in the ``RMG-Py/testing/eg3`` folder ::
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cd RMG-Py
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make eg3
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#. **ThermoEstimator Example**: this will run the :ref:`Thermo Estimation Module <thermoModule>` on a few molecules. Note that you must have MOPAC installed for this to run completely. The results will be in the ``RMG-Py/testing/thermoEstimator`` folder ::
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#. **ThermoEstimator Example**: this will run the :ref:`Thermo Estimation Module <thermoModule>` on a few molecules. Note that you must have MOPAC installed for this to run completely. The results will be in the ``RMG-Py/testing/eg4`` folder ::
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cd RMG-Py
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make eg4
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#. **RMS Constant Volume Example**: this will run a constant volume reactor using the ReactionMechanismSimulator.jl package. Note that you must have Julia and ReactionMechanismSimulator.jl installed for this to run completely. The results will be in the ``RMG-Py/testing/eg8`` folder ::
<h2><spanclass="section-number">3.3.1.4. </span>Running Examples<aclass="headerlink" href="#running-examples" title="Permalink to this heading">¶</a></h2>
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<p>A number of basic examples can be run immediately. Additional example input files can be found in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/examples</span></code> folder. Please read more on <aclass="reference internal" href="../examples.html#examples"><spanclass="std std-ref">Example Input Files</span></a> in the documentation.</p>
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<olclass="arabic">
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<li><p><strong>Minimal Example</strong>: this will run an Ethane pyrolysis model. It should take less than a minute to complete. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/minimal</span></code> folder:</p>
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<li><p><strong>Minimal Example</strong>: this will run an Ethane pyrolysis model. It should take less than a minute to complete. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/eg1</span></code> folder:</p>
<li><p><strong>Hexadiene Example</strong>: this will run a Hexadiene model with pressure dependence and QMTP. Note that you must have MOPAC installed for this to run. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/hexadiene</span></code> folder:</p>
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<li><p><strong>Hexadiene Example</strong>: this will run a Hexadiene model with pressure dependence and QMTP. Note that you must have MOPAC installed for this to run. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/eg2</span></code> folder:</p>
<li><p><strong>Liquid Phase Example</strong>: this will run a liquid phase RMG model. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/liquid_phase</span></code> folder</p>
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<li><p><strong>Liquid Phase Example</strong>: this will run a liquid phase RMG model. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/eg3</span></code> folder</p>
<li><p><strong>ThermoEstimator Example</strong>: this will run the <aclass="reference internal" href="../modules/thermoEstimation.html#thermomodule"><spanclass="std std-ref">Thermo Estimation Module</span></a> on a few molecules. Note that you must have MOPAC installed for this to run completely. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/thermoEstimator</span></code> folder</p>
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<li><p><strong>ThermoEstimator Example</strong>: this will run the <aclass="reference internal" href="../modules/thermoEstimation.html#thermomodule"><spanclass="std std-ref">Thermo Estimation Module</span></a> on a few molecules. Note that you must have MOPAC installed for this to run completely. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/eg4</span></code> folder</p>
<li><p><strong>RMS Constant Volume Example</strong>: this will run a constant volume reactor using the ReactionMechanismSimulator.jl package. Note that you must have Julia and ReactionMechanismSimulator.jl installed for this to run completely. The results will be in the <codeclass="docutils literal notranslate"><spanclass="pre">RMG-Py/testing/eg8</span></code> folder</p>
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