.. MLACS documentation master file, created by sphinx-quickstart on Wed Oct 6 18:39:56 2021. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. ################ :program:`MLACS` ################ Machine-Learning Assisted Canonical Sampling ******************************************** :program:`MLACS` is a tool to sample a canonical distribution of an atomic system with high accuracy and low computational cost. The method is based on a variationnally constructed Machine-Learning Interatomic Potential (MLIP) which is optimized in order to provide the best approximation of the real distribution. The method has been implemented in the form of a python library, linked with the Large-scale Atomic/Molecular Massively Parallel Simulation code. .. toctree:: :maxdepth: 2 :caption: Contents: background installation contributing tutorials/index .. toctree:: :maxdepth: 2 :caption: Modules moduleref/index Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search`