How to Use This Tool
- Select a directory containing subfolders with Gaussian .out files using the "Browse Folder" button.
- Click "Process Gaussian Files" to analyze all .out files in the subdirectories.
- View the results in the table and log output.
- Save the results:
- "Save energies.csv" - Creates a CSV file with energy data in the current directory
- "Save All XYZ Files" - Creates XYZ files in their respective subdirectories
- Use "New Analysis" to start over with a different directory.
Note: This tool works best in Chromium-based browsers (Chrome, Edge) as it uses the modern File System Access API.