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Dirac4pi/orca_spectra

Visualize ORCA UV-Vis absorption spectra and distinguish the contribution of each root to the total spectrum

ORCA_UV-Vis_Spectra_Visualizer

    This script is used to visualize ORCA UV-Vis absorption
spectra and distinguish the contribution of each root to the total spectrum,
it can produce publishable-quality images.
Usage: python orcaspectra.py xxx.spectrum xxx.spectrum.root1 ...

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Python100.0%
Created February 22, 2026
Updated March 3, 2026