Abstract

By default, CVODES uses an internal difference quotient function for dense and band matrices. Per user guide:

If a matrix-based linear solver module is used (i.e., a non-NULL SUNmatrix object was supplied to CVodeSetLinearSolver), the user may optionally provide a function of type CVodeJacFn for evaluating the Jacobian of the ODE right-hand side function (or an approximation of it).

Sparse Jacobian formulations are supported.

Motivation

Performance of 0D calculations.

Possible Solutions

Implement analytical derivatives for reaction rates, create user-defined CVLsJacFn to populate Jacobian and link to solver via CVodeSetJacFn.

References

• Analytical Jacobian for Cantera #19 - analytical jacobians
• Use automatic differentiation to calculate derivatives #80 - automatic differentiation