Todo List

Member Antioch::CEAThermodynamics< CoeffType >::Cache< StateType >::Cache (const StateType &T_in, const StateType &T2_in, const StateType &T3_in, const StateType &T4_in, const StateType &lnT_in)

- correctness assertions?

Class Antioch::FalloffReaction< CoeffType, FalloffType >

Document the limiting accuracy of the denominator part at the float precision. See the tests for the values, I (Sylvain) propose to make a paragraph in the model doc explaining throughfully this issue.

Member Antioch::KineticsEvaluator< CoeffType, StateType >::compute_mole_sources (const KC &conditions, const VectorStateType &molar_densities, const VectorStateType &h_RT_minus_s_R, VectorStateType &mole_sources)

Make these assertions vector-compatible

Do we need to really initialize this?

Member Antioch::KineticsEvaluator< CoeffType, StateType >::compute_mole_sources_and_derivs (const KC &conditions, const VectorStateType &molar_densities, const VectorStateType &h_RT_minus_s_R, const VectorStateType &dh_RT_minus_s_R_dT, VectorStateType &mole_sources, VectorStateType &dmole_dT, std::vector< VectorStateType > &dmole_dX_s)

Make these assertions vector-compatible

Do we need to really initialize these?

Do we need to really initialize this?

Are these going to get optimized out? Should we remove them?

Member Antioch::MixtureAveragedTransportMixture< CoeffType >::_denom

We should use a more efficient data structure

Member Antioch::MixtureAveragedTransportMixture< CoeffType >::_Mr_Ms_to_the_one_fourth

We should use a more efficient data structure

Member Antioch::MixtureDiffusion< Diffusion, CoeffType >::_binary_diffusivities

This will always be symmetric so we should make a smarter container that only stores the upper (lower) triangle of the species pairs and use accordingly.

Class Antioch::PhotochemicalRate< CoeffType, VectorCoeffType >

Need to find a place to store k once calculated, and recalculate only if the photon flux has changed. Might want also to re-put _cross_section_on_flux_grid, as usually, changes will appear in the photon flux, not the lambda grid.

Member Antioch::Reaction< CoeffType, VectorCoeffType >::compute_rate_of_progress_and_derivatives (const VectorStateType &molar_densities, const ChemicalMixture< CoeffType > &, const KineticsConditions< StateType, VectorStateType > &conditions, const StateType &P0_RT, const VectorStateType &h_RT_minus_s_R, const VectorStateType &dh_RT_minus_s_R_dT, StateType &net_reaction_rate, StateType &dnet_rate_dT, VectorStateType &dnet_rate_dX_s) const

Should we make this work arrays that get passed in so we aren't allocating/deallocating here?

Should we make this work arrays that get passed in so we aren't allocating/deallocating here?

Member Antioch::Reaction< CoeffType, VectorCoeffType >::equilibrium_constant (const StateType &P0_RT, const VectorStateType &h_RT_minus_s_R) const

Make this assertion vector-compatible

Member Antioch::Reaction< CoeffType, VectorCoeffType >::equilibrium_constant_and_derivative (const StateType &T, const StateType &P0_RT, const VectorStateType &h_RT_minus_s_R, const VectorStateType &ddT_h_RT_minus_s_R, StateType &keq, StateType &dkeq_dT) const

Make these assertions vector-compatible

Member Antioch::ReactionSet< CoeffType >::compute_reaction_rates (const KineticsConditions< StateType, VectorStateType > &conditions, const VectorStateType &molar_densities, const VectorStateType &h_RT_minus_s_R, VectorReactionsType &net_reaction_rates) const

Make these assertions vector-compatible

Member Antioch::ReactionSet< CoeffType >::compute_reaction_rates_and_derivs (const KineticsConditions< StateType, VectorStateType > &conditions, const VectorStateType &molar_densities, const VectorStateType &h_RT_minus_s_R, const VectorStateType &dh_RT_minus_s_R_dT, VectorReactionsType &net_reaction_rates, VectorReactionsType &dnet_rate_dT, MatrixReactionsType &dnet_rate_dX_s) const

Make these assertions vector-compatible

Member Antioch::ReactionSet< CoeffType >::get_reactive_scheme (const KineticsConditions< StateType, VectorStateType > &conditions, const VectorStateType &molar_densities, const VectorStateType &h_RT_minus_s_R, VectorStateType &net_rates, VectorStateType &kfwd_const, VectorStateType &kbkwd_const, VectorStateType &kfwd, VectorStateType &kbkwd, VectorStateType &fwd_conc, VectorStateType &bkwd_conc) const

Make these assertions vector-compatible

Member Antioch::Units< T >::harmonized_symbol (const std::string &input="") const

The litre management is a fix specific to litre. What should be done would be a pre-treatment of the symbol, test if its power vector is a multiple of one of the unity of the base std::vector, and make the change.