Regression Fringe Response (RFR) examples

This directory holds examples on the RFR-method for analyzing molecular dynamic stress-strain data, generated by LAMMPS.

Installation

• Install python (3.7+) via a number of different methods such as:

  1. https://www.python.org/
  2. https://www.anaconda.com/
  3. sudo apt-get install python3.11 (Linux Ubuntu example)

• These examples will run on the standard Python library and requires the following third party modules to be installed (preferable via pip):

  • matplotlib
  • numpy
  • scipy

• Please resort to the documention of your Python installion method on the syntax for using pip before reaching out to others to help install the third party libraries listed above. In general you will use pip as:

  • https://www.python.org/
    • python -m pip install PACKAGE
  • https://www.anaconda.com/
    • pip install PACKAGE
  • sudo apt-get install python3.11 (Linux Ubuntu example)
    • pip install PACKAGE

Terms of use

• You agree to acknowledge the use of the RFR-methond in any reports or publications of results obtained with the RFR-method by citing "Understanding and Interpreting Stress-Strain Curves from Molecular Dynamics Simulation of Amorphous Polymers" at https://doi.org/10.26434/chemrxiv-2025-fk935.