AutoChem | PDF Central | CDACentral

Preprocessor RoC

Given the subset of reactions involving the list of user specified constituents selected by the first preprocessor program Pick , the time derivative of their concentrations are automatically constructed by the second AutoChem preprocessor program RoC (rate of change). This is then symbolically differentiated once to give the Jacobian (required for an efficient ODE solver specifically designed for stiff ODEs) and a second time to give the Hessian required for the adjoint using in data assimilation. Each of these steps are fully documented automatically in LaTeX and PDF files. Once RoC has completed execution all the Fortran90 code has been generated that is necessary for modeling and assimilating the kinetic processes.

RoC operation is controlled by its control file, roc.ctl.

The RoC Source Code is documented and cross-referenced with hyperlinks here .

To compile and run roc use:

make -f makefile.roc; roc

Examples of the automatically generated documents are available here:


Contact the Author | 2006 David Lary