Examples# The gallery of examples below cover different ways in which pyscal can be used. Getting started with pyscal Learn the very basis, including the concepts of System and Atoms. Creating structures Create common atomic structures like bcc, fcc; and custom ones. Save and read from files. More atom manipulation Work in progress Creating defects Create Grain boundaries and view them. Finding neighbors Methods such as cutoff and its variations, and voronoi for finding neighbors. Calculating Steinhardt parameters Combine neighbor calculation with Steinhardt parameters. The original function for which pyscal was developed for. Disorder parameter Identify disorder in crystals using Steinhardt parameters. Angular parameters Parameters to quantify the angle around an atom, useful for detecting diamond structures. Distinguishing solid and liquid Steinhardt parameter based methods to distinguish solid atoms in liquid. Clustering methods to cluster atoms based on any property. Voronoi tessellation Voronoi tessellation to calculate structural vector and Voronoi volume. Chi params Angle-based Chi params for structural identification. Centrosymmetry parameter Useful parameters for finding breaks in the ordered crystal. Chemical short range order Calculate multi-component chemical short range order in alloys. Common neighbor analysis CNA, adaptive CNA to identify bcc, fcc, and hcp. Extension of CNA to identify various flavors of diamond lattice.