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update docs

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Axel Kohlmeyer
2023-09-24 16:45:59 -04:00
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doc/src/Intro_nonfeatures.rst
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@ -5,7 +5,7 @@ LAMMPS is designed to be a fast, parallel engine for molecular
dynamics (MD) simulations. It provides only a modest amount of dynamics (MD) simulations. It provides only a modest amount of
functionality for setting up simulations and analyzing their output. functionality for setting up simulations and analyzing their output.
Specifically, LAMMPS was not conceived and designed for: Originally, LAMMPS was not conceived and designed for:
* being run through a GUI * being run through a GUI
* building molecular systems, or building molecular topologies * building molecular systems, or building molecular topologies
@ -14,9 +14,10 @@ Specifically, LAMMPS was not conceived and designed for:
* visualize your MD simulation interactively * visualize your MD simulation interactively
* plot your output data * plot your output data
Over the years some of these limitations have been reduced or Over the years many of these limitations have been reduced or
removed, through features added to LAMMPS or external tools removed. In part through features added to LAMMPS and in part
that either closely interface with LAMMPS or extend LAMMPS. through external tools that either closely interface with LAMMPS
or extend LAMMPS.
Here are suggestions on how to perform these tasks: Here are suggestions on how to perform these tasks:
@ -24,8 +25,9 @@ Here are suggestions on how to perform these tasks:
wraps the library interface is provided. Thus, GUI interfaces can be wraps the library interface is provided. Thus, GUI interfaces can be
written in Python or C/C++ that run LAMMPS and visualize or plot its written in Python or C/C++ that run LAMMPS and visualize or plot its
output. Examples of this are provided in the python directory and output. Examples of this are provided in the python directory and
described on the :doc:`Python <Python_head>` doc page. Also, there described on the :doc:`Python <Python_head>` doc page. As of version
are several external wrappers or GUI front ends. 2 August 2023 :ref:`a GUI tool <lammps-gui>` is included in LAMMPS.
Also, there are several external wrappers or GUI front ends.
* **Builder:** Several pre-processing tools are packaged with LAMMPS. * **Builder:** Several pre-processing tools are packaged with LAMMPS.
Some of them convert input files in formats produced by other MD codes Some of them convert input files in formats produced by other MD codes
such as CHARMM, AMBER, or Insight into LAMMPS input formats. Some of such as CHARMM, AMBER, or Insight into LAMMPS input formats. Some of