LAMMPS Documentation

Depending on how you obtained LAMMPS, this directory has 2 or 3 sub-directories and optionally 2 PDF files and an ePUB file:

src content files for LAMMPS documentation html HTML version of the LAMMPS manual (see html/Manual.html) tools tools and settings for building the documentation Manual.pdf large PDF version of entire manual Developer.pdf small PDF with info about how LAMMPS is structured LAMMPS.epub Manual in ePUB format

If you downloaded LAMMPS as a tarball from the web site, all these directories and files should be included.

If you downloaded LAMMPS from the public SVN or Git repositories, then the HTML and PDF files are not included. Instead you need to create them, in one of three ways:

(a) You can "fetch" the current HTML and PDF files from the LAMMPS web site. Just type "make fetch". This should create a html_www dir and Manual_www.pdf/Developer_www.pdf files. Note that if new LAMMPS features have been added more recently than the date of your version, the fetched documentation will include those changes (but your source code will not, unless you update your local repository).

(b) You can build the HTML and PDF files yourself, by typing "make html" followed by "make pdf". Note that the PDF make requires the HTML files already exist. This requires various tools including Sphinx, which the build process will attempt to download and install on your system, if not already available. See more details below.

(c) You can genererate an older, simpler, less-fancy style of HTML documentation by typing "make old". This will create an "old" directory. This can be useful if (b) does not work on your box for some reason, or you want to quickly view the HTML version of a doc page you have created or edited yourself within the src directory. E.g. if you are planning to submit a new feature to LAMMPS.

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The generation of all documentation is managed by the Makefile in this dir.

Options:

make html # generate HTML in html dir using Sphinx make pdf # generate 2 PDF files (Manual.pdf,Developer.pdf)

1. in this dir via htmldoc and pdflatex

make old # generate old-style HTML pages in old dir via txt2html make fetch # fetch HTML doc pages and 2 PDF files from web site

1. as a tarball and unpack into html dir and 2 PDFs

make epub # generate LAMMPS.epub in ePUB format using Sphinx make clean # remove intermediate RST files created by HTML build make clean-all # remove entire build folder and any cached data

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Installing prerequisites for HTML build

To run the HTML documention build toolchain, Python 3 and virtualenv have to be installed. Here are instructions for common setups:

Ubuntu

sudo apt-get install python-virtualenv

1. Fedora (up to version 21)
2. Red Hat Enterprise Linux or CentOS (up to version 7.x)

sudo yum install python3-virtualenv

Fedora (since version 22)

sudo dnf install python3-virtualenv

MacOS X

Python 3

Download the latest Python 3 MacOS X package from https://www.python.org and install it. This will install both Python 3 and pip3.

virtualenv

Once Python 3 is installed, open a Terminal and type

pip3 install virtualenv

This will install virtualenv from the Python Package Index.

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Installing prerequisites for PDF build

[TBA]

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Installing prerequisites for epub build

ePUB

Same as for HTML. This uses the same tools and configuration files as the HTML tree.

For converting the generated ePUB file to a mobi format file (for e-book readers like Kindle, that cannot read ePUB), you also need to have the 'ebook-convert' tool from the "calibre" software installed. http://calibre-ebook.com/ You first create the ePUB file with 'make epub' and then do:

ebook-convert LAMMPS.epub LAMMPS.mobi