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https://github.com/laserkelvin/pickett

A version controlled repository for SPFIT/SPCAT
https://github.com/laserkelvin/pickett

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A version controlled repository for SPFIT/SPCAT

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# Pickett

## SPFIT/SPCAT program for rotational spectroscopy

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](https://cdms.astro.uni-koeln.de/classic/predictions/pickett/quelle/), 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.