This causes problems to be caught early, where they can at least sometimes be
handled as recoverable intergrator errors, rather than letting NaN values
propagate through the solution.
The check introduced in f6f868fe28 takes place too late, as the pointer to
ReactorBase.m_thermo has already been dereferenced at this point. Most compilers
let this pass, but it is techincally incorrect.
The value of this argument has almost no effect on the integrator, and
frequently confuses users since the ReactorNet can end up at a time either
greater or less than the specified time. By removing this argument, the
distinction betwen step() and advance(t) becomes much more clear.
Adds ReactorNet::reinitialize, which skips all one-time initialization and
re-uses the same CVODES integrator. The Reactor::syncState() method is
introduced for applying new initial conditions for individual Reactor objects.
This approach increases efficiency when solving many similar problems with short
integration times, for example when being used as the chemistry term integrator
in an operator-split CFD code.
This creates a single implementation of the calculation of the contributions of
walls and surface chemistry to the governing equations for all reactor types.
This reflects how the function is usually used. The old signature is now
deprecated, as is the extra argument for transfering "ownership" to the
ReactorNet object.
This function isn't actually called by CVODE (which uses its own difference
quotient method for calculating the Jacobian), so the note here isn't correct.
Change the variable named *species* to be named *component*. This
better matches the utility of this variable, since it can be used to
retrieve any of the state variables. Also, update the corresponding
documentation.
The name 'H' can mean either the species by that name or the entahlpy
of the reactor, in the case of ConstPressureReactor, and the previous
behavior always returned the index of the enthalpy.
This changes the behavior to preferentially return the species, and
adds alternative names for reactor state variables that are less
likely to generate namespace collisions: 'mass', 'volume',
'int_energy', 'enthalpy', 'temperature', 'distance', 'velocity'. The
single character names are still supported.
Resolves Issue 193.
Like IdealGasReactor, this formulation uses the temperature as a state variable
to improve performance for the common use case of reactors containing ideal gas
mixtures.
