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TheorySpectroPy

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  1. SpectroPy SpectroPy Public

    A Python toolkit for simulating Raman spectra from first-principles calculations. This package automates the setup of the finite displacement method for VASP, post-processes the results to calculat…

    Python 3

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  • SpectroPy Public

    A Python toolkit for simulating Raman spectra from first-principles calculations. This package automates the setup of the finite displacement method for VASP, post-processes the results to calculate frequency-dependent Raman tensors, and generates plottable spectra for various experimental geometries.

    TheorySpectroPy/SpectroPy’s past year of commit activity
    Python 3 MIT 0 0 0 Updated Dec 28, 2025

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