peapods 0.2.0

Ising Monte Carlo: Metropolis, Gibbs, Wolff, Swendsen-Wang, parallel tempering, Houdayer ICM

PeaPods

A Python library for simulating Ising spin systems with modern Monte Carlo methods. The core simulation loop is written in Rust (via PyO3) for performance, with a thin Python wrapper for ease of use. Currently focused on spin glass simulation, where the combination of parallel tempering, replica cluster moves, and overlap statistics is of particular interest.

Features

• Ising ferromagnets and spin glasses on periodic Bravais lattices (hypercubic, triangular, or any custom neighbor offsets)
• Arbitrary, bimodal (±J), or Gaussian coupling distributions
• Multiple replicas with overlap statistics for spin glass order parameters

The following algorithms are currently supported:

• Single-spin flips (Metropolis and Gibbs sampling)
• Swendsen-Wang cluster updates
• Wolff cluster updates
• Parallel tempering
• Houdayer isoenergetic cluster move (replica cluster move for spin glasses)
• Jörg move (stochastic overlap cluster move)
• CMR move (Chayes-Machta-Redner blue-bond overlap cluster move)

Quickstart

Run simulations directly from the terminal:

# 2D ferromagnet with cluster updates and parallel tempering
peapods simulate --shape 32 32 --temp-min 1.5 --temp-max 3.0 \
    --n-sweeps 5000 --cluster-interval 1 --pt-interval 1 --n-replicas 2

# 3D spin glass with Houdayer ICM
peapods simulate --shape 8 8 8 --couplings bimodal \
    --temp-min 0.8 --temp-max 1.4 --n-temps 24 --n-sweeps 10000 \
    --pt-interval 1 --overlap-cluster-update-interval 1 --n-replicas 4

# Save full results to .npz
peapods simulate --shape 16 16 --temp-min 1.5 --temp-max 3.0 \
    --n-sweeps 5000 --pt-interval 1 --n-replicas 2 -o results.npz

For full control over geometry and parameters, use the Python API directly:

import numpy as np
from peapods import Ising

# Triangular lattice ferromagnet (T_c = 4/ln(3) ≈ 3.641)
tri = Ising((32, 32), temperatures=np.linspace(3.0, 4.2, 32),
            n_replicas=2, neighbor_offsets=[[1, 0], [0, 1], [1, -1]])
tri.sample(n_sweeps=5000, sweep_mode="metropolis",
           cluster_update_interval=1, pt_interval=1)
print(tri.binder_cumulant)

For a more complete example, check out examples/energy_vs_temperature.py.

Installation

We recommend uv for package management. Bare pip works too (if you don't mind using a worse management tool).

uv venv
source .venv/bin/activate
uv pip install peapods

Pre-built wheels are available for Linux (x86_64, aarch64), macOS (Intel, Apple Silicon), and Windows (x86_64).

Building from source

Requires a Rust toolchain and maturin:

uv pip install maturin numpy
maturin develop --release