See the structure docs for more information.

The primary responsibilities of the python-side and C++ side of the package are

• Python-side
  • KineticGas parent class
    • Compute transport coefficients using Sonine polynomial expansion coefficients, RDF at contact and collision diameter by C++ model, and thermodynamic factors supplied by ThermoPack model
  • Inheriting classes
    • Read parameters from fluid database
    • Initialize corresponding C++ model
    • Initialize corresponding ThermoPack model
• C++ Side
  • KineticGas (abstract class)
    • Derived classes implement collision integrals, RDF at contact and collision diameter.
    • Evaluate square bracket integrals, using collision integrals implemented in derived classes
    • Build matrices to compute Sonine polynomial expansion coefficients using square bracket integrals and RDF at contact implemented in derived classes
  • Spherical (abstract class)
    • Numerical solvers for evaluating collision integrals
    • Derived classes must implement interaction potential with first and second derivatives.
  • MieKinGas (concrete class)
    • Implements interaction potential - such that collision integrals can be evaluated by methods in Spherical
    • Implements RDF at contact
    • Implements collision diameter

File system

cpp/ : The C++ source code and headers for KineticGas

cpp/Integration/ : The C++ source code and headers for the integration module used to evaluate the collision integrals.

pyExamples/ : Example files for doing computations in python

cppExamples/: Example files for C++

pykingas/ : Python source code for the pykingas package

pykingas/tests/ : Python-side test suite

pykingas/fluids/ : Fluid parameter database

Dockerfiles/ : (Not in use, should be made up to date)

docs/ : Documentation