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