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fixed some minor typos directly
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lammps-tutorials.tex

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@@ -391,7 +391,7 @@ \subsection{About LAMMPS--GUI}
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\end{itemize}
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\hyperref[using-lammps-gui]{Appendix \ref{using-lammps-gui-label}}
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contains basic instructions for installtion and using LAMMPS--GUI with
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contains basic instructions for installation and using LAMMPS--GUI with
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the tutorials presented here. A complete description of all LAMMPS--GUI
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features is in the LAMMPS manual \cite{lammps_gui_docs}.
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@@ -613,7 +613,7 @@ \subsubsection{My first input}
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we get the alternate but equivalent expression:
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$$E_{ij} (r) = \epsilon_{ij} \left[ \left( \dfrac{\bar{\sigma}_{ij}}{r} \right)^{12}
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- 2\left( \dfrac{\bar{\sigma}_{ij}}{r} \right)^{6} \right], ~
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\text{for} ~ r < r_c,$$ LAMMPS can run simulations for both formulations
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\text{for} ~ r < r_c.$$ LAMMPS can run simulations for both formulations
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with the same \textit{lj/cut} pair style, only the parameters for $\bar{\sigma}$
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of the second formulation must be divided by $2^{\frac{1}{6}}$ to get the $\sigma$
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needed for the first formulation for the LJ potential.
@@ -649,15 +649,15 @@ \subsubsection{My first input}
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The \textit{thermo} command asks LAMMPS to print thermodynamic
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information to the console every given number of steps, in this input
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every 10 simulation steps. The \textit{thermo\_style custom} determines
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\emph{which} output LAMMPS should print. This selection prints the the
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\emph{which} output LAMMPS should print. This selection prints the
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step number (\textit{step}), the total energy (\textit{etotal}), and the
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pressure (\textit{press}). The \textit{run 0} command will tell LAMMPS
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just to a force and energy initialization.
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You can now run LAMMPS. It should finish quickly and with the default
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settings LAMMPS--GUI will open two new windows, one with the console
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settings, LAMMPS--GUI will open two new windows, one with the console
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output and one with a chart. The output window will show some info
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printed by the various command in the input as they are executed and
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printed by the various commands in the input as they are executed and
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the total energy and pressure at step 0, the requested thermodynamic
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data. Since we have not done any real simulation steps, the charts
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are empty.
@@ -707,15 +707,15 @@ \subsubsection{My first input}
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positions according to a selected algorithm so that the potential energy
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will decrease. By default, LAMMPS uses the conjugate gradient (CG)
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algorithm \cite{hestenes1952methods}. The simulation will stop as soon
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at the minimizer algorithm cannot find a way to to lower the potential
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as the minimizer algorithm cannot find a way to lower the potential
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energy. Except for trivial systems, minimization algorithms will find
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the ``next'' minimum, which may not be the global minimum.
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Run the minimization and observe that LAMMPS-GUI will capture the output
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and update the chart in realtime. This run executes fast (depending on
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the capability of your computer, of course), and thus may fail to
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and update the chart in real-time. This run executes quickly (depending on
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your computer's capability) and may fail to
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capture some of the thermodynamic data (see figure \ref{fig:chart-log}).
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In that case, you can use the \textit{Preferences} dialog to reduce the
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In that case, use the \textit{Preferences} dialog to reduce the
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GUI update interval and switch to single threaded, unaccelerated
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execution in the Accelerators tab. You can repeat the run. A new run
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will always ``forget'' the current system and start over from the top.
@@ -905,9 +905,9 @@ \subsubsection{Improving the script}
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\textit{initial.lmp} file \emph{without} the \textit{create\_atoms}
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commands in the \textit{System definition} part.
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We want to create the the atoms of types 1 and 2 in two separate
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We want to create the atoms of types 1 and 2 in two separate
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regions. Thus we need to add two \textit{region} commands and then
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re-add \textit{create\_atoms} commands, but using the new regions
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re-add the \textit{create\_atoms} commands, but using the new regions
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instead of the simulation box region for placing the created atoms:
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{\normalsize
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\begin{verbatim}
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}
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The \textit{side in} and \textit{side out} keywords are used to define
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regions that represent the inside and outside of the cylinder of radius
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10. Then append a sixth section \textit{Save system} at the end of the
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10. Then, append a sixth section \textit{Save system} at the end of the
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file with the following content.:
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{\normalsize
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\begin{verbatim}
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The significant improvement input is the addition of the
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\textit{write\_data} command. This command is used to write the state
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of the system a text format file called \textit{improved.min.data}.
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of the system to a text format file called \textit{improved.min.data}.
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Note that the \textit{write\_data} command is placed \emph{after} the
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\textit{minimize} command. This \textit{.data} file will be used later
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to restart the simulation from the final state of the energy

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