Astrophysics Source Code Library

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Searching for codes credited to 'Western, Colin M.'

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[ascl:2210.026] PGOPHER: Rotational, vibrational, and electronic spectra simulator

PGOPHER simulates and fits rotational, vibrational, and electronic spectra. It handles linear molecules and symmetric and asymmetric tops, including effects due to unpaired electrons and nuclear spin, with a separate mode for vibrational structure. The code performs many sorts of transitions, including Raman, multiphoton, and forbidden transitions. It can simulate multiple species and states simultaneously, including special effects such as perturbations and state dependent predissociation. Fitting can be to line positions, intensities, or band contours. PGOPHER uses a standard graphical user interface and makes comparison with, and fitting to, spectra from various sources easy. In addition to overlaying numerical spectra, it is also possible to overlay pictures from pdf files and even plate spectra to assist in checking that published constants are being used correctly.