update docs
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@ -5,7 +5,7 @@ LAMMPS is designed to be a fast, parallel engine for molecular
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dynamics (MD) simulations. It provides only a modest amount of
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functionality for setting up simulations and analyzing their output.
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Specifically, LAMMPS was not conceived and designed for:
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Originally, LAMMPS was not conceived and designed for:
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* being run through a GUI
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* building molecular systems, or building molecular topologies
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@ -14,9 +14,10 @@ Specifically, LAMMPS was not conceived and designed for:
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* visualize your MD simulation interactively
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* plot your output data
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Over the years some of these limitations have been reduced or
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removed, through features added to LAMMPS or external tools
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that either closely interface with LAMMPS or extend LAMMPS.
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Over the years many of these limitations have been reduced or
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removed. In part through features added to LAMMPS and in part
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through external tools that either closely interface with LAMMPS
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or extend LAMMPS.
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Here are suggestions on how to perform these tasks:
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@ -24,8 +25,9 @@ Here are suggestions on how to perform these tasks:
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wraps the library interface is provided. Thus, GUI interfaces can be
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written in Python or C/C++ that run LAMMPS and visualize or plot its
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output. Examples of this are provided in the python directory and
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described on the :doc:`Python <Python_head>` doc page. Also, there
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are several external wrappers or GUI front ends.
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described on the :doc:`Python <Python_head>` doc page. As of version
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2 August 2023 :ref:`a GUI tool <lammps-gui>` is included in LAMMPS.
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Also, there are several external wrappers or GUI front ends.
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* **Builder:** Several pre-processing tools are packaged with LAMMPS.
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Some of them convert input files in formats produced by other MD codes
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such as CHARMM, AMBER, or Insight into LAMMPS input formats. Some of
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