Metadata-Version: 2.4
Name: openfermion
Version: 1.8.0
Summary: Package to compile and analyze quantum algorithms for simulating fermionic systems.
Home-page: https://quantumai.google/openfermion
Author: The OpenFermion Developers
Author-email: openfermion-dev@googlegroups.com
Maintainer: Google Quantum AI open-source maintainers
Maintainer-email: quantum-oss-maintainers@google.com
License: Apache-2.0
Keywords: algorithms,api,application programming interface,chemistry,cirq,electronic structure,fermion,fermionic systems,google quantum,google,hamiltonians,high performance,nisq,noisy intermediate-scale quantum,python,quantum algorithms,quantum chemistry,quantum circuit simulator,quantum circuit,quantum computer simulator,quantum computing,quantum development kit,quantum programming language,quantum programming,quantum simulation,quantum,qubit hamiltonians,qubit,sdk,simulation,software development kit
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Quantum Computing
Requires-Python: >=3.10.0
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: NOTICE
License-File: AUTHORS
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<div align="center">

# OpenFermion

Electronic structure package for quantum computers.

[![Compatible with Python versions 3.10 and higher](https://img.shields.io/badge/Python-3.10+-fcbc2c.svg?style=flat-square&logo=python&logoColor=white)](https://www.python.org/downloads/)
[![Licensed under the Apache 2.0 license](https://img.shields.io/badge/License-Apache%202.0-3c60b1.svg?logo=opensourceinitiative&logoColor=white&style=flat-square)](https://github.com/quantumlib/OpenFermion/blob/main/LICENSE)
[![OpenFermion project on PyPI](https://img.shields.io/pypi/v/OpenFermion.svg?logo=semantic-release&logoColor=white&label=Release&style=flat-square&color=fcbc2c)](https://pypi.org/project/OpenFermion)

[Features](#features) &ndash;
[Installation](#installation) &ndash;
[Plugins](#plugins) &ndash;
[Documentation](#documentation) &ndash;
[Contributing](#contributing-to-openfermion) &ndash;
[Citing](#citing-openfermion) &ndash;
[Authors](#authors) &ndash;
[Contact](#contact)

</div>

## Features

OpenFermion is an open-source Python package for compiling and analyzing quantum algorithms to
simulate fermionic systems, including quantum chemistry. Among other features, it includes data
structures and tools for obtaining and manipulating representations of fermionic and qubit
Hamiltonians. More information can be found in the [release
paper](https://arxiv.org/abs/1710.07629).

## Installation

Installing the latest **stable** OpenFermion requires the Python package installer
[pip](https://pip.pypa.io). (Make sure that you are using an up-to-date version of it.)

Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because
the electronic structure plugins are only compatible on these platforms. However, for those who
would like to use Windows, or for anyone having other difficulties with installing OpenFermion or
its plugins, we provide instructions for creating and using a Docker image – see the
[`docker/`](https://github.com/quantumlib/OpenFermion/tree/main/docker) subdirectory. The Docker
image provides a virtual environment with OpenFermion and select plugins pre-installed. The Docker
installation should run on any operating system where Docker can be used.

### User installation

To install the latest PyPI release of OpenFermion as a Python package for the current user (which
avoids modifying system Python packages), run the following command:

```shell
python -m pip install --user openfermion
```

### Developer installation

To install the latest version of OpenFermion in development mode, run the following commands:

```shell
git clone https://github.com/quantumlib/OpenFermion
cd OpenFermion
python -m pip install -e .
```

## Plugins

OpenFermion relies on modular plugin packages for significant functionality. Specifically, plugins
are used to simulate and compile quantum circuits and to perform classical electronic structure
calculations. Follow the links below to learn more!

### High-performance simulators

*   [OpenFermion-FQE](https://github.com/quantumlib/OpenFermion-FQE) is a high-performance emulator
    of fermionic quantum evolutions specified by a sequence of fermion operators, which can exploit
    fermionic symmetries such as spin and particle number.

### Circuit compilation plugins

*   [Forest-OpenFermion](https://github.com/rigetticomputing/forestopenfermion) to support
    integration with [Forest](https://www.rigetti.com/forest).
*   [SFOpenBoson](https://github.com/XanaduAI/SFOpenBoson) to support integration with [Strawberry
    Fields](https://github.com/XanaduAI/strawberryfields).

### Electronic structure package plugins

*   [OpenFermion-Psi4](http://github.com/quantumlib/OpenFermion-Psi4) to support integration with
    [Psi4](http://psicode.org).
*   [OpenFermion-PySCF](http://github.com/quantumlib/OpenFermion-PySCF) to support integration with
    [PySCF](https://github.com/sunqm/pyscf).
*   [OpenFermion-Dirac](https://github.com/bsenjean/Openfermion-Dirac) to support integration with
    [DIRAC](http://diracprogram.org/doku.php).
*   [OpenFermion-QChem](https://github.com/qchemsoftware/OpenFermion-QChem) to support integration
    with [Q-Chem](https://www.q-chem.com).

## Documentation

Documentation for OpenFermion can be found at
[quantumai.google/openfermion](https://quantumai.google/openfermion) and the following links:

*   [Installation](https://quantumai.google/openfermion/install)
*   [API Docs](https://quantumai.google/reference/python/openfermion/all_symbols)
*   [Tutorials](https://quantumai.google/openfermion/tutorials/intro_to_openfermion)

You can run OpenFermion's interactive Jupyter Notebooks, such as the introductory tutorial, in
[Colab](https://colab.research.google.com/github/quantumlib/OpenFermion/blob/main/examples/intro_to_openfermion.ipynb)
or
[MyBinder](https://mybinder.org/v2/gh/quantumlib/OpenFermion/main?filepath=examples%2Fintro_to_openfermion.ipynb).

## Contributing to OpenFermion

We'd love to accept your contributions and patches to OpenFermion. There are a few small guidelines
you need to follow.

*   Contributions to OpenFermion must be accompanied by a Contributor License Agreement (CLA). You
    (or your employer) retain the copyright to your contribution; the CLA simply gives us permission
    to use and redistribute your contributions as part of the OpenFermion project. Please visit
    https://cla.developers.google.com/ to see your current agreements on file or to sign a new one.
*   All submissions, including submissions by project members, require review. We use GitHub pull
    requests for this purpose. Consult the appropriate [GitHub Help
    documentation](https://help.github.com/articles/about-pull-requests/) for more information on
    using pull requests.
*   Please make sure your new code comes with extensive tests! We use automatic testing to make sure
    all pull requests pass tests and do not decrease overall test coverage by too much.
*   Please also make sure to follow the OpenFermion source code style. We mostly follow Python's
    [PEP 8](https://www.python.org/dev/peps/pep-0008/) guidelines and use the corresponding
    [linter](https://pypi.python.org/pypi/pep8) to check for it.
*   Code should always be accompanied by documentation. Formatted OpenFermion documentation is
    generated automatically and can be found [on the Quantum AI web
    site](https://quantumai.google/openfermion).
*   We use [GitHub issues](https://github.com/quantumlib/OpenFermion/issues) for tracking requests
    and bugs. Please post questions to the [Quantum Computing Stack
    Exchange](https://quantumcomputing.stackexchange.com/) with an `openfermion` tag.

## Citing OpenFermion<a name="how-to-cite-openfermion"></a><a name="how-to-cite"></a>

OpenFermion is the work of many people. When using OpenFermion for research projects, please cite
the [published paper](https://doi.org/10.1088/2058-9565/ab8ebc):

> Jarrod R McClean, Nicholas C Rubin, Kevin J Sung, Ian D Kivlichan, Xavier Bonet-Monroig, Yudong
> Cao, Chengyu Dai, E Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale, Thomas Häner,
> Tarini Hardikar, Vojtěch Havlíček, Oscar Higgott, Cupjin Huang, Josh Izaac, Zhang Jiang, Xinle
> Liu, Sam McArdle, Matthew Neeley, Thomas O'Brien, Bryan O'Gorman, Isil Ozfidan, Maxwell D Radin,
> Jhonathan Romero, Nicolas P D Sawaya, Bruno Senjean, Kanav Setia, Sukin Sim, Damian S Steiger,
> Mark Steudtner, Qiming Sun, Wei Sun, Daochen Wang, Fang Zhang, and Ryan Babbush. (2020).
> OpenFermion: The Electronic Structure Package for Quantum Computers. _Quantum Science and
> Technology_, 5(3), 034014.

For formatted citations and records in other formats, as well as records for all releases of OpenFermion
past and present, please visit the [OpenFermion page on Zenodo](https://zenodo.org/records/15604843).

## Authors

[Ryan Babbush](https://ryanbabbush.com) (Google),
[Jarrod McClean](https://jarrodmcclean.com) (Google),
[Nicholas Rubin](https://github.com/ncrubin) (Google),
[Kevin Sung](https://github.com/kevinsung) (University of Michigan),
[Ian Kivlichan](https://aspuru.chem.harvard.edu/ian-kivlichan/) (Harvard),
[Dave Bacon](https://github.com/dabacon) (Google),
[Xavier Bonet-Monroig](https://github.com/xabomon) (Leiden University),
[Yudong Cao](https://github.com/yudongcao) (Harvard),
[Chengyu Dai](https://github.com/jdaaph) (University of Michigan),
[E. Schuyler Fried](https://github.com/schuylerfried) (Harvard),
[Craig Gidney](https://github.com/Strilanc) (Google),
[Brendan Gimby](https://github.com/bgimby) (University of Michigan),
[Pranav Gokhale](https://github.com/singular-value) (University of Chicago),
[Thomas Häner](https://github.com/thomashaener) (ETH Zurich),
[Tarini Hardikar](https://github.com/TariniHardikar) (Dartmouth),
[Vojtĕch Havlíček](https://github.com/VojtaHavlicek) (Oxford),
[Oscar Higgott](https://github.com/oscarhiggott) (University College London),
[Cupjin Huang](https://github.com/pertoX4726) (University of Michigan),
[Josh Izaac](https://github.com/josh146) (Xanadu),
[Zhang Jiang](https://ti.arc.nasa.gov/profile/zjiang3) (NASA),
[William Kirby](https://williammkirby.com) (Tufts University),
[Xinle Liu](https://github.com/sheilaliuxl) (Google),
[Sam McArdle](https://github.com/sammcardle30) (Oxford),
[Matthew Neeley](https://github.com/maffoo) (Google),
[Thomas O'Brien](https://github.com/obriente) (Leiden University),
[Bryan O'Gorman](https://ti.arc.nasa.gov/profile/bogorman) (UC Berkeley, NASA),
[Isil Ozfidan](https://github.com/conta877) (D-Wave Systems),
[Max Radin](https://github.com/max-radin) (UC Santa Barbara),
[Jhonathan Romero](https://github.com/jromerofontalvo) (Harvard),
[Daniel Sank](https://github.com/DanielSank) (Google),
[Nicolas Sawaya](https://github.com/nicolassawaya) (Harvard),
[Bruno Senjean](https://github.com/bsenjean) (Leiden University),
[Kanav Setia](https://github.com/kanavsetia) (Dartmouth),
[Hannah Sim](https://github.com/hsim13372) (Harvard),
[Damian Steiger](https://github.com/damiansteiger) (ETH Zurich),
[Mark Steudtner](https://github.com/msteudtner) (Leiden University),
[Qiming Sun](https://github.com/sunqm) (Caltech),
[Wei Sun](https://github.com/Spaceenter) (Google),
[Daochen Wang](https://github.com/daochenw) (River Lane Research),
[Chris Winkler](https://github.com/quid256) (University of Chicago),
[Fang Zhang](https://github.com/fangzh-umich) (University of Michigan),
and [Emiel Koridon](https://github.com/Emieeel) (Leiden University).

We are happy to include future contributors as authors on later releases.

## Contact

For any questions or concerns not addressed here, please email quantum-oss-maintainers@google.com.

## Disclaimer

This is not an officially-supported Google product. This project is not eligible for the [Google
Open Source Software Vulnerability Rewards
Program](https://bughunters.google.com/open-source-security).

Copyright 2017 The OpenFermion Developers.

<div align="center">
  <a href="https://quantumai.google">
    <img width="15%" alt="Google Quantum AI"
         src="https://raw.githubusercontent.com/quantumlib/OpenFermion/refs/heads/main/docs/images/quantum-ai-vertical.svg">
  </a>
</div>
