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Exact diagonalization tools for lattice gauge theories and quantum many-body Hamiltonians

Project description

edlgt

Exact diagonalization tools for lattice gauge theories and quantum many-body Hamiltonians.

Documentation: https://ed-su2.readthedocs.io/en/latest/

pip install edlgt and import edlgt

Supported Python: >=3.10

Installation

PyPI (recommended for users)

pip install edlgt

Optional Simsio workflows (installs simsio from GitHub):

pip install "edlgt[simsio]"

From source (development)

git clone --recursive https://github.com/gcataldi96/ed-lgt.git
cd ed-lgt
pip install -e .

Development tools:

pip install -e ".[dev]"

Development tools + Simsio:

pip install -e ".[dev,simsio]"

Quick Start

Check the installation:

python -c "import edlgt; print(edlgt.__version__)"

The best starting point is to run one of the example scripts and adapt it to your model:

python examples/example_QED_static.py
python examples/example_QED_dynamics.py
python examples/example_SU2_static.py
python examples/example_SU2_dynamics.py

Minimal import example:

import edlgt
from edlgt.models import QED_Model, SU2_Model
from edlgt.modeling import diagonalize_density_matrix

Optional Simsio Support

simsio is not currently available on PyPI, so the simsio extra installs it from GitHub.

If you prefer to install it manually, use one of:

pip install -r requirements-simsio.txt
pip install "git+https://github.com/rgbmrc/simsio.git"

If you work from this repository and use the submodule, also make sure it is present:

git submodule update --init --recursive

Performance Notes

  • For reproducible high-performance runs, prefer a dedicated Conda environment (for example with MKL).
  • The pip package stays backend-agnostic for portability.
  • After clearing caches, the first run can be slower because Numba recompiles kernels.
  • Benchmark Numba-heavy code on a warm run (run twice).

Project Layout

  • edlgt/: library source code
  • examples/: example scripts for QED, SU2, DFL, Zn, etc.
  • validation/: validation scripts/tests
  • docs/: documentation sources

Citation

If you use edlgt in research, please cite it using the metadata in:

  • CITATION.cff
  • CITATION.bib

When Zenodo DOIs are available, use:

  • the concept DOI for general software citation
  • the version DOI for exact reproducibility

Current Zenodo concept DOI (all versions): 10.5281/zenodo.11145317

Maintenance (for contributors)

Commit / Push Checklist

  • Run at least one relevant example/script when changing package code
  • Do a warm run before judging performance after Numba/kernel changes
  • Check import edlgt after public API/import-path changes
  • Keep pyproject.toml and requirements*.txt aligned when dependencies change
  • Add user-facing changes to CHANGELOG.md under Unreleased
  • Do not bump the version for normal commits/pushes (only for releases)
  • Avoid committing generated artifacts (dist/, __pycache__/, large logs/outputs)

Release Checklist

  • Update CHANGELOG.md and choose the next version
  • Bump version in pyproject.toml
  • Clean build artifacts: rm -rf dist build *.egg-info
  • Build package: python -m build
  • Check metadata: python -m twine check dist/*
  • Test install in a fresh environment
  • Upload to TestPyPI, test install, then upload to PyPI
  • Tag the release in git (for example v0.1.0)

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