jcerezochem/analyze_spectra
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analyze_spectra
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Python tools to analyze UV and IR spectra from Gaussian log files
Tools provided:
* analyze_UVspectra.py: convolute spectrum and optionally show the plot
for (basic) analysis
* analyze_UVspectra_pyqt5.py: open a Qt5 GUI for more refined analysis
* analyze_IRspectra.py: convolute spectrum and optionally show the plot
for (basic) analysis
* analyze_IRspectra_pyqt5.py: open a Qt5 GUI for more refined analysis