SRO Visualizer

This project provides an interactive dashboard to visualize the Short Range Order (SRO) calculation results. It simplifies the process of analyzing and plotting SQS (Special Quasirandom Structures) data using ASE, pandas, and Plotly.

Installation

Before you begin, make sure the following Python libraries are installed:

pip install ase pandas plotly

How to Analyze SQS Data

Follow these steps to analyze your SQS data and generate the required JSON file:

1. Navigate to the folder where you executed the SQS run.

2. Run the analyze_sqs.py script:

   python analyze_sqs.py

3. Modify the values for cutoff and scale (lattice constant) within the script according to your specific system configuration.

4. After running the script, you will obtain a JSON file containing the analysis results.

Visualize SQS Data

Once you have your JSON file, follow these instructions to visualize the SRO data:

1. Run the sqs_plot.py script:

   python sqs_plot.py

2. Open the link that appears in your terminal in your browser.

3. Upload the JSON file you generated from the SQS analysis to the dashboard.

4. When you're done, use Ctrl + C in your terminal to exit the server.

Enjoy visualizing your SRO data!

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If you have any questions or run into issues, feel free to reach out for help!