DenseMatrix &mat, doublereal* speciesValues = 0 ) so that now it takes
a reference to the matrix that needs to be filled, avoiding an extra
copy construction.
For vector and DenseMatrix resize operations, added 0.0 or 0 as
initialization value so that we don't have garbage in these. This is
most relevant for vectors of pointers where we need NULL values to
test against.
switched velocityBasis to a typedef. It seemed the better solution. Note the concept is still basically undeveloped.
Doxygen changes - supporting 1.6.2
Worked on changing the solution for 2 problematic tests:
catcomb_stagflow
surf_rxn
The catcomb problem actually needed the surface mechanism to be
changed for it to become a reliable solve.
We are trying to keep the major sections of cantera separate from each
other to impose a coarse grained modularity on the code. And, adding a
pointer here leads to their linkages at a lower level. Linkages at a
higher level are encouraged, however This is the same reason why there isn't
a kinetics pointer here as well.
Added a built-in type to handle electrons in metals that
follow the SHE convention.
Took out electrodeElectron, since it was hidden and not used.
MetalSHEelectrons have a standard concentration of 1, instead
of the previous treatment where SHE electrons had a standard
concentration equal to the concentration of an ideal gas.
There were two changes:
Additions to support some reversible reactions which have fractional
stoichiometries. These were not allowed previously. However, if
the species with fractional stoichiometries are in single-species
phases, this is ok, and actually necessary for some solid-phase
reactions.
Removed comments from DEBUG_MODE about about too high or low an activation
for electrode reactions.
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration()
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.
This is now fixed.
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.
The member function getActivityConcentration() calculated the
standard concentrations for solute species incorrectly. This
caused the reaction rates of progress for kinetics operations
involving HMWSoln to be calculated incorrectly. In particular,
equilibrium constants (which were and are correct)
were not compatible with forward vs.
reverse ROP's.
I fixed this error, and worked on more documentation of
generalized activity concentrations.
phase eos type. We've not had this until now.
The idea here is to have a 1 to 1 mapping between an
eosType int and a string, which can be used for writing output.
