This repository contains a Python script to extract specific spin-orbit coupling (SOC) data from a file with a defined format. The extracted data is saved to a new file, with transition information and SOC values in cm⁻¹.
- Pattern Matching: Extracts transitions and SOC values based on a custom format.
- Dynamic Output Naming: Saves output with a filename based on the input file name.
- Verbose Mode: Optionally displays additional information during execution for debugging.
- Error Handling: Validates the input file and handles missing files or unmatched patterns.