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GitHub - lacourjansenlab/GMAP: GMAP is a package of tools for use in computing spectra from molecular dynamics trajectories. Currently, the main event is GEM, which supports both vibrational and electronic spectroscopy.
GMAP is a package of tools for use in computing spectra from molecular dynamics trajectories. Currently, the main event is GEM, which supports both vibrational and electronic spectroscopy. - lacour...