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Library for kinetic theory calculations in the multi-temperature and state-to-state approximations

Project description


Provides a library with various functions used in computational kinetic theory.
Aimed at the multi-temperature (and one-temperature as a special case) and state-to-state approximations.

Documentation is available here:

For changes see CHANGELOG.txt (

Roadmap (major additions)

* Add calculation of heat capacities for mixtures and partial derivatives of full internal energy with respect to
numeric density

* Add pre-made calculations of simple things (like shear viscosity)

* More vibrational models - Landau-Teller, SSH

Current issues

#. VV probabilities seem to be wrong for multi-quantum transitions. Needs more thorough literature checks

#. Rotational relaxation times calculated using a strict definition seem to be off by a factor of 2.

Project details

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