71ef5ebfcc
of progress. This bug was reported in the Cantera newsgroup.
The fix consists of replacing
Rc = exp ( mlogA + blogT - Ea / RT)
with
Rc = A * exp (b logT - Ea/RT)
Therefore, the log of A never has to be taken.
Note, this also allows for a zero rate of progress for a reaction.
Consequences:
The permissible range of the rate constant values may be altered.
Numerical roundoff differences will occur, since the order of
operations in key rate constant evalulations has been changed.
Speed of the calculation may be affected. I have no idea which way.
The fix should be considered as provisional. There are different pathways
for fixing this. This is merely the simplest.
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|---|---|---|
| .. | ||
| clib | ||
| cxx | ||
| fortran | ||
| lib | ||
| matlab | ||
| python | ||
| src | ||
| user | ||
| .cvsignore | ||
| Makefile.in | ||
| README.txt | ||
This directory contains the source for Cantera and its various
language interfaces.
clib - the library of C-callable functions used by the Python and
Matlab interfaces.
cxx - files that are only required for C++ application programs.
matlab - the Cantera Matlab toolbox
python - the Cantera Python package
src - the Cantera kernel, used by Cantera in all its forms