8000 Dilawars9 (Dilawars9) / Repositories · GitHub
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  • dilawars9.github.io Public

    Updated Mar 3, 2025

  • 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 Updated Nov 8, 2024

  • 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 MIT License Updated Nov 8, 2024

  • Data_conversion_for_z-matrix_and_cartesian_coordinates Public

    Python MIT License Updated Aug 25, 2023

  • Dilawars9 Public

    Config files for my GitHub profile.

    config github-config
    Updated Dec 13, 2022
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