Equilibrium chmistry computation tool
Project description
easyCHEM: a Python package for calculating equilibrium chemistry abundances of exoplanet atmospheres
Welcome to the easyCHEM repository. easyCHEM is a Python package for calculating chemical abundances in exoplanet atmospheres, assuming equilibrium chemistry. Ancillary outputs are the atmospheric adiabatic temperature gradient and mean molar mass. easyCHEM is a clone of the equilibrium chemistry part of NASA’s CEA code, written from scratch and with numerical stability in mind. In particular, the code implements the equations described in Gordon & McBride (1994) and makes use of LAPACK’s dgesv routine for fast matrix inversion. Since we incorporated the dgesv source code into easyCHEM, users do not require external math libraries.
Documentation
The code documentation, installation guide, and tutorial can be found at https://easychem.readthedocs.io.
Attribution
If you use easyCHEM in your work, please cite the following articles:
for the easyCHEM base implementation: Mollière et al. 2017.
The JOSS paper (Lei & Mollière) is in prep.
License
Copyright 2022-2024 Elise Lei and Paul Mollière
easyCHEM is available under the MIT license. See the LICENSE file for more information.
dgesv, which is part of LAPACK, and which easyCHEM is using, is available under the BSD license.
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