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1. Dilawars9 Dilawars9 Public

   Config files for my GitHub profile.

2. Data_conversion_for_z-matrix_and_cartesian_coordinates Data_conversion_for_z-matrix_and_cartesian_coordinates Public

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3. soc_data soc_data Public

   A Python script to extract spin-orbit coupling (SOC) data from formatted files, outputting transition and SOC values with error handling, dynamic file naming, and optional verbose mode for debugging.

   Python

4. td_extract td_extract Public

   A Python script to parse Gaussian TD log files, extract excited state data, convert energies, and calculate singlet-triplet gaps, with options for full or minimal output formatting.

   Python