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simplify LAMMPS-GUI mention in the abstract
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lammps-tutorials.tex

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topic of MD simulations. LAMMPS is one such versatile molecular
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simulation code, designed for modeling particle-based systems across a
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broad range of materials science and computational chemistry
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applications, including atomistic, coarse--grained, mesoscale,
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applications, including atomistic, coarse-grained, mesoscale,
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grid-free continuum, and discrete element models. LAMMPS is capable
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of efficiently running simulations of varying sizes from small desktop
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computers to large-scale supercomputing environments. Its flexibility
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and extensibility make it ideal for complex and extensive simulations
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of atomic and molecular systems, and beyond. This article introduces a
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suite of tutorials designed to make learning LAMMPS more accessible to
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new users. The first four tutorials cover the basics of running
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molecular simulations in LAMMPS with systems of varying complexities,
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including a simple fluid and a carbon nanotube. The last four
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tutorials address more advanced molecular simulation techniques,
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specifically the use of a reactive force field, grand canonical Monte Carlo,
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enhanced sampling, and REACTER protocol.
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In addition, we introduce \lammpsgui{}, an enhanced graphical text
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editor with syntax highlighting, command completion, context help,
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plus built--in visualization and plotting facilities, and the ability
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to run LAMMPS directly on the input file while tracking its progress.
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\lammpsgui{} is used as the primary tool in the tutorials to edit
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inputs, run LAMMPS, extract data, and visualize the simulated systems.
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of atomic and molecular systems, and beyond. This article introduces
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a suite of tutorials designed to make learning LAMMPS more accessible
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to new users. The first four tutorials cover the basics of running
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molecular simulations in LAMMPS with systems of varying complexities.
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The second four tutorials address more advanced molecular simulation
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techniques, specifically the use of a reactive force field, grand
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canonical Monte Carlo, enhanced sampling, and the REACTER protocol.
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In addition, we introduce \lammpsgui{}, an enhanced cross-platform
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graphical text editor specifically designed for use with LAMMPS and
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able to run LAMMPS directly on the edited input. \lammpsgui{} is used
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as the primary tool in the tutorials to edit inputs, run LAMMPS,
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extract data, and visualize the simulated systems.
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\end{abstract}
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\end{frontmatter}

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