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radi0sus/orca_ir

Plots IR spectra from from ORCA output files

computational-chemistryconvolutiondftgaussianinteractiveirir-spectrajupyterjupyter-notebookmatplotliborcaorca-quantum-chemistryplotpythonpython3quantum-chemistryspectraspectrumstick-spectra
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Python50.9%Jupyter Notebook49.1%

Contributors

RA
BSD 3-Clause "New" or "Revised" License
Created August 29, 2021
Updated August 19, 2025
radi0sus/orca_ir | GitHunt