Lumol has different documentations:

• The user manual contains information about the general concepts of systems and simulations used in Lumol. Additionally, it has tutorials on how to use and extend Lumol. Use this documentation if you want to know basic concepts and how they are used in Lumol.
• The input reference contains information about - well, the input file system of Lumol. Use this document if you want to use Lumol as a command line tool without writing code.
• To use Lumol as a library inside your own code, we have a developer documentation, which contains documentation for all the library public functions, and examples for most of them.

Here is how you can build these documents. Both the user manual and the input reference uses sphinx with reStructuredText markup, so you will need to install some dependencies in order to build them:

pip install -r doc/requirements.txt

The user manual is located in the book directory.

cd book
make html
# HTML pages are in `build/html`

If you prefer other formats, sphinx has different options. You can inspect all options by typing

make help

The documentation is found in build/html/ (or build/<out>/ where <out> is the specified format for make).

The input reference is located in the reference directory. It is also built using sphinx:

cd reference
make html
# HTML pages are in `build/html`

In addition to the user manual, Lumol provides a complete programming interface documentation, which you can build by running cargo doc --open in the root of the repository.

This interface documentation is only useful if you want to use Lumol as a library in you own code.