This repository is used for a public, version controlled set of source code for Herb Pickett's SPFIT and SPCAT programs for fitting and simulating rotational spectra.
The base version of this code was obtained from the Cologne Database for Molecular Spectroscopy, with the latest modifications by Dr. Holger S. P. Müller (the Pickett_neu.zip
file package).
This repository includes modifications by Kelvin Lee, primarily with modifications to the partition function routine to calculate the rotational partition function up to 1000 K programmatically without needing to repetitively call SPCAT.