Peclet¶

A suite of GPU-accelerated and parallel codes for the simulation of transport phenomena — Eulerian (CFD / Navier–Stokes), Lagrangian (DEM / particle packing) and mixed (Voronoi) methods, sharing one MPI block domain decomposition with asynchronous ghost-layer exchange, SDF-described solids, a common immersed-boundary methodology, GPU support (Kokkos: CUDA / HIP / OpenMP), and Python bindings everywhere.

The name nods to the Péclet number — the ratio of advective to diffusive transport, the dimensionless heart of transport phenomena.

Quick start (Python)¶

The codes are driven from Python — one peclet.* namespace, installable from PyPI. The multicore-CPU (OpenMP) build ships as a self-contained wheel, so this just works:

pip install peclet            # the CPU family: peclet-morton + peclet-flow + peclet-dem + peclet-voro
# or an individual package, e.g.  pip install peclet-flow

import peclet.flow as flow
s = flow.Solver(32, 32, 32)
s.set_rho(1.0); s.set_mu(0.01); s.set_dt(60.0)
s.set_solid(sdf)                      # SDF geometry (<0 inside solid)
for _ in range(100):
    s.step()
u, p = s.get_u(), s.get_p()           # numpy arrays [x,y,z]
print(flow.execution_space)           # -> OpenMP / Cuda / HIP / Serial

→ Python API reference · Install & run (GPU / MPI / HPC containers).

The codes¶

Code	PyPI · import	Role
core	`peclet-core` · `peclet.core`	Shared infrastructure: ORB block decomposition, async grid/particle halo, SDF geometry, VTI I/O, AMR octree
flow	`peclet-flow` · `peclet.flow`	Incompressible Navier–Stokes for porous media (staggered MAC + cut-cell IBM + multigrid); `pnm` pore extraction
dem	`peclet-dem` · `peclet.dem`	Discrete Element Method (XPBD) + SDF point-shell collision for dense packing
voro	`peclet-voro` · `peclet.voro`	Dynamic 3D Voronoi tessellation of moving particles (periodic & Lees–Edwards) + mesh generation
morton	`peclet-morton` · `peclet.morton`	Morton/Z-order codes with arithmetic in Morton space — the spatial-index primitive

The GPU codes are Kokkos-based: the same source runs on CUDA, HIP (AMD/LUMI) and OpenMP, chosen at build time by the install prefix (or the container).

Documentation¶

Python API reference — the classes and methods you call from Python (the primary interface).
Install & run — the backend × MPI matrix and pip install recipes (CPU / Snellius CUDA / LUMI HIP).
Containers (HPC) — pull the pre-built Apptainer images from GHCR (or build your own) and run on a laptop, Snellius, or LUMI.
Architecture · Conventions · Interfaces · Roadmap — the cross-cutting design contract.
C++ API (Doxygen) — the full C++ API per code: core · morton · flow · dem · voro

Citing¶

If you use Peclet in your research, please cite it. Each release is archived on Zenodo:

All versions (concept DOI): 10.5281/zenodo.21132445 — always resolves to the latest release.
This release (v0.2.0): 10.5281/zenodo.21132446.

Machine-readable metadata lives in CITATION.cff — use GitHub's "Cite this repository" button for ready-made BibTeX/APA.