Welcome to sqsgenerator’s documentation!#


  • 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

I would highly, appreciate, if you cite our article in case you use the software in your research. Here is the BibTeX entry. Many thanks in advance =)

Table of contents#

API Reference#