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A Python package for computing opacity cross-sections, using line lists from Kurucz, ExoMol or HITRAN/HITEMP.

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pyROX: Rapid Opacity X-sections

A Python package for computing opacity cross-sections and collision-induced absorption coefficients for applications in models of (exo)-planetary and (sub)-stellar atmospheres. pyROX currently supports line opacity calculations from the ExoMol, HITRAN, HITEMP, and Kurucz databases. Collision-induced absorption coefficients can also be computed using the HITRAN and Borysow databases.

Documentation

The full documentation for pyROX, including an installation guide and tutorial, can be found on https://py-rox.readthedocs.io/en/latest/.

Installation

To install pyROX, clone this repository and install via

git clone https://github.com/samderegt/pyROX.git
cd pyROX
pip install .

Usage

After installation, pyROX can be called directly from the terminal using the pyROX command. The first argument should be a should be a python-script with configuration parameters (see examples/).

Important steps can be run with the following arguments:

  • --download (or -d): Download data from the specified database.
  • --calculate (or -c): Calculate and save the temporary outputs (i.e. cross-sections or CIA-coefficients).
  • --save (or -s): Combine the temporary outputs into a single grid and save to a final output-file.

Example usage:

pyROX <config_file> --download --calculate --save

Contributing

If you have suggestions for new features or found a potential bug, please open an issue. If you would like to implement a new feature, please read the contribution guidelines.

License and Acknowledgements

pyROX is available under the MIT license.

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A Python package for computing opacity cross-sections, using line lists from Kurucz, ExoMol or HITRAN/HITEMP.

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