mdolab / complexify

README

The complex-step is a method for estimating derivatives.

This repository provides a:

1. Fortran library and scripts to covert Fortran code to complex-step compatible code
2. Python module redefining numpy functions that are not complex safe

Documentation

Please see the documentation for installation details and API documentation.

To locally build the documentation, enter the doc folder and enter make html in terminal. You can then view the built documentation in the _build folder.

Citation

Please cite the complex step method in any publication for which you find it useful. For more background, theory, and figures, see the this paper.

The Complex-Step Derivative Approximation

@Article{Martins2003a,
    author      = {Joaquim R. R. A. Martins and Peter Sturdza and Juan J. Alonso},
    title       = {The Complex-Step Derivative Approximation},
    doi         = {10.1145/838250.838251},
    journal     = {ACM Transactions on Mathematical Software},
    month       = {September},
    number      = {3},
    pages       = {245--262},
    pdfurl      = {https://www.researchgate.net/profile/Joaquim_Martins/publication/222112601_The_Complex-Step_Derivative_Approximation/links/0912f50c7474bb861d000000/The-Complex-Step-Derivative-Approximation.pdf},
    volume      = {29},
    year        = {2003}
}

Copyright MDO Lab.

complexify's Issues

Improve unit test coverage for complexify fortran library

Description

Currently, parts of the complexify fortran library are not unit tested. We need to continue and add more unittests as we should have full coverage for the library.

Avoid changing strings when complexifying

Description

The current pattern matching does not check whether the patterns are used in strings that are printed out. For example in mdolab/adflow#229, I ran into a problem where a sequence of "======" being used as a separator was converted to ".ceq..ceq..ceq.". This does not necessarily break the compilation, but it can if the line exceeds the character limit.

Steps to reproduce issue

1. Build the complex version of ADflow.
2. Check src_cs/BCData.F90 for .ceq..ceq..ceq.

Current behavior

Some strings are substituted with complexified functions.

Expected behavior

Strings should stay the same.

Add python definitions of complex-safe functions

Description of feature

We should add a python library of complex-safe functions, similar to what's done in the complexify module in Fortran. That way, codes that require these definitions don't have to define them in an ad-hoc fashion.