Common Neighbor Analysis Automation Scripts

This repository contains Bash scripts designed to automate atomic simulations, specifically focusing on Common Neighbor Analysis (CNA) in liquids.

Overview

The scripts allow you to:

• Run simulations at multiple temperatures automatically.
• Perform multiple runs at the **same temperature to improve statistical accuracy.
• Generate outputs ready for post-processing and analysis.
• Easily adapt scripts for other types of atomic or structural analysis.

These tools are especially useful for researchers working on liquids or disordered systems, where statistical sampling is critical.

Features

✅ Automated temperature
✅ Multiple runs for statistical accuracy
✅ Suitable for use with tools like LAMMPS, VASP, OVITO, or custom post-processing scripts

Requirements

• Unix-based system (Linux/macOS)
• Bash shell
• Molecular dynamics software (e.g., LAMMPS,VASP)
• Post-processing tools for CNA (e.g., OVITO, custom scripts)

Usage

1. Clone the repository:

   git clone https://github.com/alfahs/MolecularDynamicsScripts.git
   cd MolecularDynamicsScripts