SpectroscPy: The Python Package for Vibrational Spectroscopy

SpectroscPy is a Python script package designed to post process outputs containing response tensors from OpenRSP/LSDalton response property calculations and determine the desired spectroscopic properties. As of 2020, it works for vibrational properties, specifically IR, Raman and Hyper-Raman, and includes both harmonic and anharmonic corrections. Please do not use versions 2 or 3, new semantic versioning starts at 0.0.0. Project is hosted on GitLab (https://gitlab.com/kdu002/SpectroscPy).Through project granted by The Research Council of Norway, projects 262695, 250743 and 274918