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v0.3.0
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@pbauman pbauman released this 05 Aug 15:25
v0.3.0
9de380e

This release contain several substantial changes, detailed below. This will be the last (non-bugfix) release that is header-only --- future releases will require linking to a compiled library.

  • Introduced KineticsConditions object.
    • Beginning to encapsulate quantities necessary for
      computing reaction rates.
    • Experimental. Expect future API changes.
  • Added NASA7 and NASA9 fits for thermodynamics
    • CEA internally uses NASA9
  • Added IdealGasMicroThermo
    • Alternative to StatMechThermodynamics
    • Computes vibrational excitation by subtracting
      translational/rotational from curve fit of total
      quantity
    • MacroThermo is the template parameter for the total.
      Can use, e.g., NASA7, NASA9, etc.
    • Assumes no electronic excitation
  • Refactored parsing objects
    • Default ASCII input files provided in share directory
  • Added new ChemKin format parsing capabilities
  • Complete refactoring of transport models
    • WilkeMixture, WilkeEvaluator now deprecated
    • Replaced by MixtureAveragedTransportMixture,
      MixtureAveragedTransportEvaluator
    • Defined interface for species transport objects
      using CRTP pattern
    • MixtureAveraged* objects templated on species
      transport objects
    • MixtureViscosity, MixtureConductivity, and
      MixtureDiffusion hold species objects for the species
      present in the chemical mixture.
  • Added new "KineticsTheory" species models
    • Typically referred to as "Pure Species" model. Based on
      kinetics theory expressions and curve fits of collision
      integrals
    • Antioch must be built with GSL (for splining) in order to
      use KineticsTheory models.
  • Several bugfixes in units/parsing corner cases
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