Welcome to sqsgenerator’s documentation!

Highlights

  • Easy integration with popular frameworks such as ase, pymatgen and pyiron

  • Monte-Carlo and systematic approach to compute optimal atomic configuration

  • Carefully hand-crafted low-level C++ routines, for efficient calculation of short-range-order

  • OpenMP parallelized by default, with additional support for MPI parallelization

  • Light dependency footprint

  • Intuitive to use

  • Command line interface

  • Simple to use Python API

Table of contents

API Reference