function.
Added "None" to TransportBase.h. I think I had taken it out inadvertently
from one of the other .h files. It's needed here to specify no
transport. (maybe time for using enums)
functions and doxygen documentation.
Changed _updateStandardStateThermo() and _updateRefStateThermo()
to virtual protected functions, which is a necessary condition for
them to be useful.
This commit doesn't change any code. Only the doxygen related
documentation has been updated. The warning levels from doxygen
have been increased, so that undocumented parameters now cause
a warning to be issued.
This commit eliminates these warning messages.
I upped the warning levels within doxygen and then filled in
the missing information within the currently covered files.
I also created a few more doxygen modules, aiming towards getting
100% coverage of classes within at least one doxygen module.
My hope here is to start adding doxygen documentation
for the strong electrolyte thermodynamics in the near future.
than the main convergence criteria in equilibrium(). This was necessary
to avoid another nonconvergence case. You don't want equilibrate() routine's
matrix algorithm to handle ill-conditioned matrices.
Changed the storage of element potentials. Now, dimensionless element
potentials are storred, instead of dimensional one. There is less dependence
on temperature.
All debugging print statements now use Cantera's writelog() utility.
ElementRearrange() function has been added to it.
ChemEquil has been upgraded. It now uses BasisOptimize. A better
estimateElementPotentials() function has been installed that doesn't
lead to as many stalls in the main algorithm. This is achieved by
making sure that estimated mole fractions of component species are
significant.
Various tweaks to estimateEP_Brinkley() has been added. It now passes the
gri30 test problem in the fuego_tabular_props application.
Fixed an error in ChemEquil.cpp where there was an overwrite of an
array.
Added a getMoles() command to MultiPhase object.
Added the file BasisOptimize which calculates the number of components
in a multiphase problem rigorously, using a QR factorization of the
stoichiometric coefficent matrix, and calculates an optimized basis
set of components using those species with the largest concentrations.
It also calculates the formationRxnMatrix based on those components.
This routine isn't hooked into anything yet.
