daa479d4f7
It used to be that the components were picked based on the magnitude of their mole numbers. I changed this to the magnitude of the mole numbers multiplied by the # elements in the species. On one problem, a heptane combustion mechanism, this reduced the number of iterations in the VCS algorithm from 1080 to 40. Obviously, the convergence rate within the VCS method depends on the ID of the components. This change should be considered as a trial balloon. It may fall apart on some other problem. I may be forestalling the obvious here. The more complete solution is to formualte the hessian of the rxns involving the major species, and then invert it, using cg probably, to get a better iteration direction. |
||
|---|---|---|
| .. | ||
| clib | ||
| cxx | ||
| fortran | ||
| lib | ||
| matlab | ||
| python | ||
| src | ||
| user | ||
| .cvsignore | ||
| cmake_install.cmake | ||
| CMakeLists.txt | ||
| 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