PyTCHInt

I am currently working on a high-performance integration software for the transcorrelated method. This project was already underway when I joined the group, but has matured significantly since then. Calculations that used to take days now take minutes due to code optimisation, as well as the introduction of various new methods and approximations. Disclaimer: I am a lead developer, but by no means the sole one.

My biggest contributions are in the enfocement of proper coding standards (introducing a unit test suite, pull requests, documentation generators) and in code interoperability, particularly by introducing the Python interface PyTCHInt, which interfaces with what was formerly a library written only in Fortran (TCHInt).

For more details, see the first appendix of my dissertation or any of the papers about TC from the Alavi group.