136 lines
3.6 KiB
ReStructuredText
136 lines
3.6 KiB
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########################################
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LAMMPS Documentation (|version| version)
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########################################
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LAMMPS stands for **L**\ arge-scale **A**\ tomic/**M**\ olecular
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**M**\ assively **P**\ arallel **S**\ imulator.
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LAMMPS is a classical molecular dynamics simulation code with a focus
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on materials modeling. It was designed to run efficiently on parallel
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computers. It was developed originally at Sandia National
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Laboratories, a US Department of Energy facility. The majority of
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funding for LAMMPS has come from the US Department of Energy (DOE).
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LAMMPS is an open-source code, distributed freely under the terms of
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the GNU Public License Version 2 (GPLv2).
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The `LAMMPS website <lws_>`_ has a variety of information about the
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code. It includes links to an on-line version of this manual, a
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`mailing list <https://www.lammps.org/mail.html>`_ and
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`online forum <https://www.lammps.org/forum.html>`_ where users can
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post questions, and a `GitHub site <https://github.com/lammps/lammps>`_
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where all LAMMPS development is coordinated.
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----------
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The content for this manual is part of the LAMMPS distribution. The
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online version always corresponds to the latest development version.
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If needed, you can download or build a local copy of the manual as
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HTML pages or a PDF file by following the steps on the
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:doc:`Build_manual` page. If you have difficulties viewing the pages
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please :ref:`see this note <webbrowser>`.
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-----------
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The manual is organized in three parts:
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1) the :ref:`User Guide <user_documentation>` for how to install
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and use LAMMPS, 2) the :ref:`Programmer Guide <programmer_documentation>`
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for how to write programs using the LAMMPS library from different
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programming languages and how to modify and extend LAMMPS, and 3) the
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:ref:`Command Reference <command_reference>` which includes detailed
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descriptions of all commands included in the LAMMPS code.
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.. only:: html
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Once you are familiar with LAMMPS, you may want to bookmark
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:doc:`this page <Commands_all>` since it gives quick access
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the documentation for all LAMMPS commands.
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.. _lws: https://www.lammps.org
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----------
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************
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User Guide
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************
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.. _user_documentation:
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.. toctree::
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:maxdepth: 2
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:numbered: 3
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:caption: User Guide
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:name: userdoc
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:includehidden:
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Intro
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Install
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Build
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Run_head
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Commands
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Packages
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Speed
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Howto
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Examples
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Tools
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Errors
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******************
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Programmer Guide
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******************
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.. _programmer_documentation:
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.. toctree::
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:maxdepth: 2
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:numbered: 3
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:caption: Programmer Guide
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:name: progdoc
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:includehidden:
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Library
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Python_head
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Modify
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Developer
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*****************
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Command Reference
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*****************
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.. _command_reference:
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.. toctree::
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:name: reference
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:maxdepth: 1
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:caption: Command Reference
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commands_list
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fixes
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computes
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pairs
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bonds
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angles
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dihedrals
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impropers
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fix_modify_atc_commands
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Bibliography
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******************
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Indices and tables
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******************
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.. only:: html
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* :ref:`genindex`
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* :ref:`search`
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.. _webbrowser:
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.. admonition:: Web Browser Compatibility
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The HTML version of the manual makes use of advanced features present
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in "modern" web browsers. This can lead to incompatibilities with older
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web browsers (released more than 4 years ago) and specific vendor browsers
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(e.g. Internet Explorer on Windows; Microsoft Edge works well though)
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where parts of the pages are not rendered as expected (e.g. the layout is
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broken or mathematical expressions not typeset). In that case we
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recommend to install/use a different/newer web browser or use
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the `PDF version of the manual <https://docs.lammps.org/Manual.pdf>`_.
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