<i>Pothos</i>: A Python Package for Polymer\nChain Orientation and Microstructure Evolution Monitoring

In the pursuit of informing experimental techniques with\nin silico\noptimizations, we propose a pip deployable Python package, <i>pothos</i>, to easily determine polymer crystallites within\nmolecular dynamic melts and the chain orientation parameters of atomistic\nand coarse-grained simulations. The package supports the commonly\nused ⟨<i>P</i><sub>2</sub>⟩, ⟨<i>P</i><sub>4</sub>⟩, and ⟨<i>P</i><sub>6</sub>⟩ order parameters based on the chain chord vector\nand utilizes a modified DBSCAN algorithm to determine crystalline\nregions. The results of analysis are written to text and LAMMPS dump\nfiles for visualization and analysis.