The Lumol user manual


Lumol is actively developed and should be considered as alpha software. As the code is likely to change so is this documentation.

Welcome to the Lumol user manual. In this book we teach you how to use Lumol to set up and run classical molecular simulations. We designed Lumol to be flexible and extensible; you are able to customize your simulation to suit your needs and use it as a platform to implement your own algorithms and customized potential functions in an easy way. You can use Lumol as a command line tool as well as a library in your own code.

Excited? Then let’s start with an overview of this book: