Color coding semicrystalline polymers based on order parameter
Abstract
The script is written by Rachel Olurotimi (MSE, Clemson University, Kuksenok lab: https://cecas.clemson.edu/kuksenoklab/); email rolurot@clemson.edu. This script color-codes all beads within a single frame of a LAMMPS trajectory:The Python file writes the Tcl file to color code the beads based on LOP (local order parameter) and display them in VMD.Blue beads are the most ordered, white beads are unordered, and pink beads are the most unordered.Crosslink beads are represented in black.
Fields of Study & Subjects
Polymer crystallization and properties
Advanced Physical and Chemical Molecular Interactions
Block Copolymer Self-Assembly
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 12 February 2026
- Language
- EN
- Document type
- Book