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sphinx/build/html/_sources/tutorial3/tutorial.rst.txt

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@@ -90,9 +90,13 @@ distances, etc). Thus add to **water.lmp** the line:
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maps are used for the bond types, angle types, and dihedral types.
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Let us create water molecules. To do so, let us import a molecule template called
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**water.mol** and then randomly create 700 molecules. Add the following
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|water_mol_tutorial3| and then randomly create 700 molecules. Add the following
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lines into **water.lmp**:
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.. |water_mol_tutorial3| raw:: html
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<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/water.mol" target="_blank">water.mol</a>
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.. code-block:: lammps
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molecule h2omol water.mol

sphinx/build/html/tutorial3/polymer-in-water.html

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@@ -395,7 +395,7 @@ <h2>Preparing the water reservoir<a class="headerlink" href="#preparing-the-wate
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maps are used for the bond types, angle types, and dihedral types.</p>
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</div>
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<p>Let us create water molecules. To do so, let us import a molecule template called
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<strong>water.mol</strong> and then randomly create 700 molecules. Add the following
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<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/water.mol" target="_blank">water.mol</a> and then randomly create 700 molecules. Add the following
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lines into <strong>water.lmp</strong>:</p>
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<div class="highlight-lammps notranslate"><div class="highlight"><pre><span></span><span class="k">molecule</span><span class="w"> </span><span class="n">h2omol</span><span class="w"> </span><span class="n">water.mol</span>
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<span class="k">create_atoms</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="n">random</span><span class="w"> </span><span class="m">700</span><span class="w"> </span><span class="m">87910</span><span class="w"> </span><span class="n">NULL</span><span class="w"> </span><span class="n">mol</span><span class="w"> </span><span class="n">h2omol</span><span class="w"> </span><span class="m">454756</span><span class="w"> </span><span class="n">overlap</span><span class="w"> </span><span class="m">1.0</span><span class="w"> </span><span class="n">maxtry</span><span class="w"> </span><span class="m">50</span>

sphinx/build/html/tutorial3/tutorial.html

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@@ -347,7 +347,7 @@ <h1>Preparing the water reservoir<a class="headerlink" href="#preparing-the-wate
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maps are used for the bond types, angle types, and dihedral types.</p>
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</div>
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<p>Let us create water molecules. To do so, let us import a molecule template called
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<strong>water.mol</strong> and then randomly create 700 molecules. Add the following
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<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/water.mol" target="_blank">water.mol</a> and then randomly create 700 molecules. Add the following
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lines into <strong>water.lmp</strong>:</p>
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<div class="highlight-lammps notranslate"><div class="highlight"><pre><span></span><span class="k">molecule</span><span class="w"> </span><span class="n">h2omol</span><span class="w"> </span><span class="n">water.mol</span>
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<span class="k">create_atoms</span><span class="w"> </span><span class="m">0</span><span class="w"> </span><span class="n">random</span><span class="w"> </span><span class="m">700</span><span class="w"> </span><span class="m">87910</span><span class="w"> </span><span class="n">NULL</span><span class="w"> </span><span class="n">mol</span><span class="w"> </span><span class="n">h2omol</span><span class="w"> </span><span class="m">454756</span><span class="w"> </span><span class="n">overlap</span><span class="w"> </span><span class="m">1.0</span><span class="w"> </span><span class="n">maxtry</span><span class="w"> </span><span class="m">50</span>

sphinx/source/tutorial3/tutorial.rst

Lines changed: 5 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -90,9 +90,13 @@ distances, etc). Thus add to **water.lmp** the line:
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maps are used for the bond types, angle types, and dihedral types.
9191

9292
Let us create water molecules. To do so, let us import a molecule template called
93-
**water.mol** and then randomly create 700 molecules. Add the following
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|water_mol_tutorial3| and then randomly create 700 molecules. Add the following
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lines into **water.lmp**:
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.. |water_mol_tutorial3| raw:: html
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<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/water.mol" target="_blank">water.mol</a>
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.. code-block:: lammps
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molecule h2omol water.mol

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