Chemistry Code Generation¶
FLINT supports both general-purpose chemistry solver and mechanism-specific dedicated routines. The first one is a general subroutine that solves finite-rate chemistry using input data to define all necessary . On the other hand, dedicated routines are source files optimized for a specific chemical mechanism, hard-coding all required info directly in the source files.
The employment of mechanism-specific routines provides significant performance improvements and it is particularly important for production runs.
The generation of a new mechanism routine is always recommended. However, this operation requires the modification of the API, therefore it is suggested for developers or advanced users.
A python program is shipped with FLINT to automatically generate source files starting from yaml files. See the proper Development section for more info.
API modifications required
This procedure generates new FLINT source files and requires rebuilding the library. It is intended for advanced users and developers.
Performance Comparison¶
A performance comparison among different methods of integration was performed by testing different chemical mechanisms on 0D batch reactor.
The results clearly show how explicit (hard-coded) routines outperform the other alternatives for each tested mechanism.
Benchmark environment:
- MacBook Air (Apple M1, 8 cores: 4P + 4E)
- 16 GB RAM
- macOS
- Homebrew GCC 15.2.0
- Apple clang 17.0.0 (clang-1700.6.3.2)
- Single-threaded execution