25 July 2013

This directory contains a Python-based tool for performing "programmable polymer bonding". The Python file lmpsdata.py provides a "Lmpsdata" class with various methods which can be invoked by a user-written Python script to create data files with complex bonding topologies.

See the Manual.pdf for details and example scripts.

This tool and the manual was written by Zachary Kraus at Georgia Tech. He can be contacted at this email address: zachkraus at gatech.edu.