0.2v-Small Test Simulation Feature (Python Notebooks)

[janitha-mahanthe]

Add a lightweight test simulation framework using Python notebooks with LAMMPS python library.

Description

• Provide minimal, ready-to-run LAMMPS reactive simulations via Python (e.g., using lammps Python module)
• Allow quick validation of REACTER-generated systems
• Include example notebooks demonstrating:
  • System initialization
  • Running a short MD simulation

Goal

• Create a fast feedback loop for testing configurations before running large-scale simulations