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Update lammps-tutorials.tex
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lammps-tutorials.tex

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@@ -849,15 +849,15 @@ \subsubsection{My first input}
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not exchange energy with anything outside the simulation box.
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\end{note}
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Run the simulation using LAMMPS. Initially, there is no equilibrium
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between potential and kinetic energy, as the potential energy
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Run the simulation using LAMMPS. Initially, {\color{blue} the system is
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not equilibrated}, as the potential energy
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decreases while the kinetic energy increases. After approximately
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40\,000 steps, the values for both kinetic and potential energy
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plateau, indicating that the system has reached equilibrium, with
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the total energy fluctuating around a certain constant value.
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Now, we change the \lmpcmd{Run} section to (note the smaller number of
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MD steps):
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Now, we change the {\color{blue} second} \lmpcmd{Run} section to
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(note the smaller number of MD steps):
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\begin{lstlisting}
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# 5) Run
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fix mynve all nve
@@ -1092,7 +1092,8 @@ \subsubsection{Improving the script}
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minimization. To start the simulation from a clean slate, with only
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atoms of type 2 inside the cylinder and atoms of type 1 outside the
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cylinder, let us delete the misplaced atoms by adding the following
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commands to \flecmd{improved.md.lmp}:
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commands to {\color{blue}the \lmpcmd{System definition} section of
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the} \flecmd{improved.md.lmp}:
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\begin{lstlisting}
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region cyl_in cylinder z 0 0 10 INF INF side in

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