pyscal (conda): pyscal is a python module for the calculation of local atomic structural environments including Steinhardt's bond orientational order parameters [1] during post-processing of atomistic simulation data. The core functionality of pyscal is written in C++ with python wrappers using pybind11 which allows for fast calculations with possibilities for easy expansion in python.
Keywords: bond-order-parameters|lammps|molecular-dynamics|nucleation|order-parameters|solid-state-physics|steinhardt|steinhardt-bond-order-parameters