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lammps-tutorials.tex

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@@ -344,43 +344,46 @@ \subsection{Software/system requirements}
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The LAMMPS release version 29Aug2024~\cite{lammps_code} and the
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matching LAMMPS--GUI software version 1.6.11 are required to follow the
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tutorials, as they use features that first appeared in these versions.
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For Linux (with x86\_64 CPU), macOS (BigSur or later), and Windows (10
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tutorials, as they include features that were first introduced in these versions.
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For Linux (x86\_64 CPU), macOS (BigSur or later), and Windows (10
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and 11) you can download a precompiled LAMMPS package from the LAMMPS
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release page on GitHub
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(\href{https://github.com/lammps/lammps/releases}{github.com/lammps/lammps/releases}).
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Select a package with `GUI' in the file name, which includes
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both LAMMPS--GUI and a LAMMPS console executable. These
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precompiled packages are designed to be portable, and therefore omit support for
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running in parallel with MPI. \hyperref[using-lammps-gui-label]{Appendix
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\ref{using-lammps-gui-label}} has instructions for installing
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LAMMPS--GUI and using its most relevant features for the tutorials.
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LAMMPS versions have good backward compatibility: old inputs generally work with
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newer LAMMPS versions. However, forward compatibility is not as strong, meaning
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newer inputs are not as likely to work with older LAMMPS versions. Thus, it is
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generally possible to follow this tutorial with more recent releases of
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LAMMPS--GUI and LAMMPS. Older versions may need some minor adjustments.
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Nevertheless, these tutorials will be periodically revised to ensure compatibility
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and take advantage of new features in the most recent stable version of LAMMPS.
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For advanced tutorials, external tools are required for plotting and
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visualization, since the corresponding functionality in LAMMPS--GUI is
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parallel execution with MPI. Instructions for installing LAMMPS--GUI and
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using its most relevant features for the tutorials are provided in
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\hyperref[using-lammps-gui-label]{Appendix~\ref{using-lammps-gui-label}}.
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LAMMPS versions are generally backward compatible, meaning that old
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input files typically work with newer versions of LAMMPS. However,
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forward compatibility is not as strong, so
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newer input files may not work with older versions. As a result, it is
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usually possible to follow this tutorial with more recent releases of
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LAMMPS--GUI and LAMMPS, though older versions may require some minor adjustments.
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These tutorials will be periodically updated to ensure compatibility
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and take advantage of new features in the latest stable version of LAMMPS.
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For some tutorials, external tools are required for plotting and
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visualization, as the corresponding functionality in LAMMPS--GUI is
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limited. Suitable external tools for plotting include Python with
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Pandas/Matplotlib~\cite{van1995python,hunter2007Matplotlib}, XmGrace,
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Gnuplot, Microsoft Excel, and LibreOffice Calc. For
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visualization, suitable external tools include VMD~\cite{vmd_home,humphrey1996vmd}
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Gnuplot, Microsoft Excel, and LibreOffice Calc. For visualization,
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suitable external tools include VMD~\cite{vmd_home,humphrey1996vmd}
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and OVITO~\cite{ovito_home,ovito_paper}.
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\hyperref[command-line-label]{Appendix~\ref{command-line-label}} has instructions
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for running LAMMPS from the command line.
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% \hyperref[command-line-label]{Appendix~\ref{command-line-label}} has instructions
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% for running LAMMPS from the command line.
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% SG: I placed a reference of Appendix B before, so I dont think that sentence is
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% necessary here.
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\subsection{About LAMMPS--GUI}
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LAMMPS--GUI is a graphical text editor, enhanced for editing LAMMPS input
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files, and linked to the LAMMPS library, allowing it to run LAMMPS
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directly. The text editor functions similarly to other graphical editors
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like Notepad or Gedit but offers the following enhancements specifically for LAMMPS:
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files and linked to the LAMMPS library, allowing it to run LAMMPS
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directly. The text editor functions similarly to other graphical editors,
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such as Notepad or Gedit, but offers the following enhancements specifically for LAMMPS:
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\begin{itemize}
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\item Auto-completion of LAMMPS commands and options
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\item Syntax highlighting for LAMMPS input files
@@ -400,27 +403,26 @@ \subsection{About LAMMPS--GUI}
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\item Viewing of plain text files
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\item Use of wizard dialogs to set up tutorials
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\end{itemize}
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\hyperref[using-lammps-gui-label]{Appendix~\ref{using-lammps-gui-label}}
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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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features can be found in the LAMMPS manual~\cite{lammps_gui_docs}.
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\section{Content and links}
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The tutorials described in this article can be accessed at
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\href{https://lammpstutorials.github.io}{lammpstutorials.github.io},
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where additional exercises with solutions are also provided. All files
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and inputs required to follow the tutorials are available from a
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dedicated GitHub account,
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dedicated GitHub organization account,
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\href{https://github.com/lammpstutorials}{github.com/lammpstutorials}.
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Additionally, these files can be downloaded by clicking \guicmd{Start LAMMPS Tutorial X}
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These files can also be downloaded by clicking \guicmd{Start LAMMPS Tutorial X}
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(where \texttt{X} = 1...8) from the \guicmd{Tutorials} menu of LAMMPS--GUI.
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In the following, all LAMMPS input or console commands are formatted
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with a \lmpcmd{colored background}. Keyboard shortcuts and
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file names are formatted in \flecmd{monospace}, and LAMMPS--GUI options and menus
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are in \guicmd{quoted monospace}.
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are displayed in \guicmd{quoted monospace}.
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% S.G.: I removed "folder names" because all folders will eventually be removed (TO CONTROL BEFORE SUBMITTING)
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% S.G.: I removed "Section titles" as well because it seems to be using a different style
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