Week 12: Documentation and Wrapping Up

This week was dedicated to writing documentation. Now that the code is refactored and the implementation is stable, it was time to make sure users actually know how to use the new PETSc backend.

PETSc Backend Guide

The new documentation covers a few core things: - Enabling the backend using backend="petsc" inside HEOMSolver. - Configuring the IntegratorPETSc options (like ts_type and max_steps). - Using the parallelized steady_state() method with KSP solvers. - Limitations, like the requirement for time-independent Hamiltonians and running scripts via mpiexec.

A Complete Example

To make things easier for new users, I also added an example based on the 1D Ising model benchmark we used earlier for benchmarking. It shows how to initialize MPI with petsc4py, construct the system and baths, pass the integration options, and safely extract the final results from the root rank.

Next Steps

With the documentation finished, my GSoC project is mostly complete. Up next, I’ll be working on: - Creating a final tutorial notebook - Writing the final GSoC summary blog post