CDE API Reference¶
The CDE API documentation is generated directly from the Fortran source code using Doxygen.
It documents the modules, functions, subroutines and source files that make up the CDE reaction-path analysis engine.
Fortran API¶
The complete automatically generated API is available here:
Source modules¶
The current CDE source contains modules covering:
- Constants and global data
- General utility functions
- Molecular structures and I/O
- Potential-energy surfaces
- Reaction-path optimisation
- Path finding
- Reaction-path analysis
The API documentation is regenerated from the Fortran source whenever make docs is run.