===========
OpenFermion
===========
.. image:: https://raw.githubusercontent.com/quantumlib/OpenFermion/refs/heads/master/docs/images/logo_horizontal.svg
:alt: OpenFermion logo
:width: 75%
:align: center
.. |ci| image:: https://img.shields.io/github/actions/workflow/status/quantumlib/openfermion/ci.yml?style=flat-square&logo=GitHub&label=Continous%20integration
:alt: Continuous integration status badge
:target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
.. |python| image:: https://img.shields.io/badge/Python-3.10+-fcbc2c.svg?style=flat-square&logo=python&logoColor=white
:alt: Compatible with Python versions 3.10 and higher
:target: https://www.python.org/downloads/
.. |license| image:: https://img.shields.io/badge/License-Apache%202.0-3c60b1.svg?logo=opensourceinitiative&logoColor=white&style=flat-square
:alt: Licensed under the Apache 2.0 license
:target: https://github.com/quantumlib/OpenFermion/blob/main/LICENSE
.. |version| image:: https://img.shields.io/pypi/v/OpenFermion.svg?logo=semantic-release&logoColor=white&label=Release&style=flat-square&color=fcbc2c
:alt: OpenFermion project on PyPI
:target: https://pypi.org/project/OpenFermion
.. |downloads| image:: https://img.shields.io/pypi/dm/openfermion?logo=PyPI&logoColor=white&style=flat-square&label=Downloads
:alt: OpenFermion downloads per month from PyPI
:target: https://img.shields.io/pypi/dm/OpenFermion
.. class:: margin-top
.. class:: centered
|
| |ci| |python| |license| |version| |downloads|
.. |vertspace| image:: https://upload.wikimedia.org/wikipedia/commons/archive/c/ca/20200404084254%211x1.png
:alt: Blank space
:width: 1px
:height: 30px
|vertspace| OpenFermion is an open source library for compiling and analyzing quantum
algorithms to simulate fermionic systems, including quantum chemistry. Among
other functionalities, it features data structures and tools for obtaining and
manipulating representations of fermionic and qubit Hamiltonians. For more
information, see our `release paper <https://arxiv.org/abs/1710.07629>`__.
You can run the interactive Jupyter Notebooks in |Colab|_ or |MyBinder|_.
.. |Colab| replace:: Colab
.. _Colab: https://colab.research.google.com/github/quantumlib/OpenFermion
.. |MyBinder| replace:: MyBinder
.. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples
Installation and Documentation
==============================
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.
Documentation 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>`__
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 have provided a Docker image
and usage instructions in the
`docker folder <https://github.com/quantumlib/OpenFermion/tree/master/docker>`__.
The Docker image provides a virtual environment with OpenFermion and select plugins pre-installed.
The Docker installation should run on any operating system.
Developer install
-----------------
To install the latest version of OpenFermion (in development mode), run
the following commands:
.. code-block:: shell
git clone https://github.com/quantumlib/OpenFermion
cd OpenFermion
python -m pip install -e .
Library install
---------------
To install the latest PyPI release as a library (in user mode), run
the following commands:
.. code-block:: shell
python -m pip install --user openfermion
Plugins
=======
OpenFermion relies on modular plugin libraries 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>`__.
How to contribute
=================
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
this simply gives us permission to use and redistribute your contributions as part of the project.
Head over to 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
`GitHub Help <https://help.github.com/articles/about-pull-requests/>`__ for
more information on using pull requests.
Furthermore, 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. Make sure you adhere to our style
guide. Just have a look at our code for clues. We mostly follow
`PEP 8 <https://www.python.org/dev/peps/pep-0008/>`_ and use
the corresponding `linter <https://pypi.python.org/pypi/pep8>`_ to check for it.
Code should always come with documentation, which is generated automatically and can be found
`here <http://openfermion.readthedocs.io/en/latest/openfermion.html>`_.
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.
Authors
=======
`Ryan Babbush <http://ryanbabbush.com>`__ (Google),
`Jarrod McClean <http://jarrodmcclean.com>`__ (Google),
`Nicholas Rubin <https://github.com/ncrubin>`__ (Google),
`Kevin Sung <https://github.com/kevinsung>`__ (University of Michigan),
`Ian Kivlichan <http://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).
How to cite
===========
When using OpenFermion for research projects, please cite:
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
*OpenFermion: The Electronic Structure Package for Quantum Computers*.
`Quantum Science and Technology 5.3 (2020): 034014 <https://iopscience.iop.org/article/10.1088/2058-9565/ab8ebc/meta>`__.
We are happy to include future contributors as authors on later releases.
Disclaimer
==========
Copyright 2017 The OpenFermion Developers.
This is not an official Google product.
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"description": "===========\nOpenFermion\n===========\n\n.. image:: https://raw.githubusercontent.com/quantumlib/OpenFermion/refs/heads/master/docs/images/logo_horizontal.svg\n :alt: OpenFermion logo\n :width: 75%\n :align: center\n\n.. |ci| image:: https://img.shields.io/github/actions/workflow/status/quantumlib/openfermion/ci.yml?style=flat-square&logo=GitHub&label=Continous%20integration\n :alt: Continuous integration status badge\n :target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg\n\n.. |python| image:: https://img.shields.io/badge/Python-3.10+-fcbc2c.svg?style=flat-square&logo=python&logoColor=white\n :alt: Compatible with Python versions 3.10 and higher\n :target: https://www.python.org/downloads/\n\n.. |license| image:: https://img.shields.io/badge/License-Apache%202.0-3c60b1.svg?logo=opensourceinitiative&logoColor=white&style=flat-square\n :alt: Licensed under the Apache 2.0 license\n :target: https://github.com/quantumlib/OpenFermion/blob/main/LICENSE\n\n.. |version| image:: https://img.shields.io/pypi/v/OpenFermion.svg?logo=semantic-release&logoColor=white&label=Release&style=flat-square&color=fcbc2c\n :alt: OpenFermion project on PyPI\n :target: https://pypi.org/project/OpenFermion\n\n.. |downloads| image:: https://img.shields.io/pypi/dm/openfermion?logo=PyPI&logoColor=white&style=flat-square&label=Downloads\n :alt: OpenFermion downloads per month from PyPI\n :target: https://img.shields.io/pypi/dm/OpenFermion\n\n.. class:: margin-top\n.. class:: centered\n\n|\n| |ci| |python| |license| |version| |downloads|\n\n.. |vertspace| image:: https://upload.wikimedia.org/wikipedia/commons/archive/c/ca/20200404084254%211x1.png\n :alt: Blank space\n :width: 1px\n :height: 30px\n\n|vertspace|\u200aOpenFermion is an open source library for compiling and analyzing quantum\nalgorithms to simulate fermionic systems, including quantum chemistry. Among\nother functionalities, it features data structures and tools for obtaining and\nmanipulating representations of fermionic and qubit Hamiltonians. For more\ninformation, see our `release paper <https://arxiv.org/abs/1710.07629>`__.\n\nYou can run the interactive Jupyter Notebooks in |Colab|_ or |MyBinder|_.\n\n.. |Colab| replace:: Colab\n.. _Colab: https://colab.research.google.com/github/quantumlib/OpenFermion\n\n.. |MyBinder| replace:: MyBinder\n.. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples\n\nInstallation and Documentation\n==============================\n\nInstalling the latest **stable** OpenFermion requires the Python package\ninstaller `pip <https://pip.pypa.io>`__. Make sure that you are using an\nup-to-date version of it.\n\nDocumentation can be found at `quantumai.google/openfermion <https://quantumai.google/openfermion>`__ and the following links:\n\n* `Installation <https://quantumai.google/openfermion/install>`__\n\n* `API Docs <https://quantumai.google/reference/python/openfermion/all_symbols>`__\n\n* `Tutorials <https://quantumai.google/openfermion/tutorials/intro_to_openfermion>`__\n\nCurrently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because\nthe electronic structure plugins are only compatible on these platforms. However,\nfor those who would like to use Windows, or for anyone having other difficulties\nwith installing OpenFermion or its plugins, we have provided a Docker image\nand usage instructions in the\n`docker folder <https://github.com/quantumlib/OpenFermion/tree/master/docker>`__.\nThe Docker image provides a virtual environment with OpenFermion and select plugins pre-installed.\nThe Docker installation should run on any operating system.\n\nDeveloper install\n-----------------\n\nTo install the latest version of OpenFermion (in development mode), run\nthe following commands:\n\n.. code-block:: shell\n\n git clone https://github.com/quantumlib/OpenFermion\n cd OpenFermion\n python -m pip install -e .\n\nLibrary install\n---------------\n\nTo install the latest PyPI release as a library (in user mode), run\nthe following commands:\n\n.. code-block:: shell\n\n python -m pip install --user openfermion\n\nPlugins\n=======\n\nOpenFermion relies on modular plugin libraries for significant functionality.\nSpecifically, plugins are used to simulate and compile quantum circuits and to perform\nclassical electronic structure calculations.\nFollow the links below to learn more!\n\nHigh-performance simulators\n---------------------------\n\n* `OpenFermion-FQE <https://github.com/quantumlib/OpenFermion-FQE>`__ is\n a high-performance emulator of fermionic quantum evolutions specified\n by a sequence of fermion operators, which can exploit fermionic\n symmetries such as spin and particle number.\n\nCircuit compilation plugins\n---------------------------\n\n* `Forest-OpenFermion <https://github.com/rigetticomputing/forestopenfermion>`__ to support integration with `Forest <https://www.rigetti.com/forest>`__.\n\n* `SFOpenBoson <https://github.com/XanaduAI/SFOpenBoson>`__ to support integration with `Strawberry Fields <https://github.com/XanaduAI/strawberryfields>`__.\n\nElectronic structure package plugins\n------------------------------------\n\n* `OpenFermion-Psi4 <http://github.com/quantumlib/OpenFermion-Psi4>`__ to support integration with `Psi4 <http://psicode.org>`__.\n\n* `OpenFermion-PySCF <http://github.com/quantumlib/OpenFermion-PySCF>`__ to support integration with `PySCF <https://github.com/sunqm/pyscf>`__.\n\n* `OpenFermion-Dirac <https://github.com/bsenjean/Openfermion-Dirac>`__ to support integration with `DIRAC <http://diracprogram.org/doku.php>`__.\n\n* `OpenFermion-QChem <https://github.com/qchemsoftware/OpenFermion-QChem>`__ to support integration with `Q-Chem <https://www.q-chem.com>`__.\n\nHow to contribute\n=================\n\nWe'd love to accept your contributions and patches to OpenFermion.\nThere are a few small guidelines you need to follow.\nContributions to OpenFermion must be accompanied by a Contributor License\nAgreement (CLA).\nYou (or your employer) retain the copyright to your contribution; the CLA\nthis simply gives us permission to use and redistribute your contributions as part of the project.\nHead over to https://cla.developers.google.com/\nto see your current agreements on file or to sign a new one.\n\nAll submissions, including submissions by project members, require review.\nWe use GitHub pull requests for this purpose. Consult\n`GitHub Help <https://help.github.com/articles/about-pull-requests/>`__ for\nmore information on using pull requests.\nFurthermore, please make sure your new code comes with extensive tests!\nWe use automatic testing to make sure all pull requests pass tests and do not\ndecrease overall test coverage by too much. Make sure you adhere to our style\nguide. Just have a look at our code for clues. We mostly follow\n`PEP 8 <https://www.python.org/dev/peps/pep-0008/>`_ and use\nthe corresponding `linter <https://pypi.python.org/pypi/pep8>`_ to check for it.\nCode should always come with documentation, which is generated automatically and can be found\n`here <http://openfermion.readthedocs.io/en/latest/openfermion.html>`_.\n\nWe use `Github issues <https://github.com/quantumlib/OpenFermion/issues>`__\nfor tracking requests and bugs. Please post questions to the\n`Quantum Computing Stack Exchange <https://quantumcomputing.stackexchange.com/>`__ with an 'openfermion' tag.\n\nAuthors\n=======\n\n`Ryan Babbush <http://ryanbabbush.com>`__ (Google),\n`Jarrod McClean <http://jarrodmcclean.com>`__ (Google),\n`Nicholas Rubin <https://github.com/ncrubin>`__ (Google),\n`Kevin Sung <https://github.com/kevinsung>`__ (University of Michigan),\n`Ian Kivlichan <http://aspuru.chem.harvard.edu/ian-kivlichan/>`__ (Harvard),\n`Dave Bacon <https://github.com/dabacon>`__ (Google),\n`Xavier Bonet-Monroig <https://github.com/xabomon>`__ (Leiden University),\n`Yudong Cao <https://github.com/yudongcao>`__ (Harvard),\n`Chengyu Dai <https://github.com/jdaaph>`__ (University of Michigan),\n`E. Schuyler Fried <https://github.com/schuylerfried>`__ (Harvard),\n`Craig Gidney <https://github.com/Strilanc>`__ (Google),\n`Brendan Gimby <https://github.com/bgimby>`__ (University of Michigan),\n`Pranav Gokhale <https://github.com/singular-value>`__ (University of Chicago),\n`Thomas H\u00e4ner <https://github.com/thomashaener>`__ (ETH Zurich),\n`Tarini Hardikar <https://github.com/TariniHardikar>`__ (Dartmouth),\n`Vojt\u0115ch Havl\u00ed\u010dek <https://github.com/VojtaHavlicek>`__ (Oxford),\n`Oscar Higgott <https://github.com/oscarhiggott>`__ (University College London),\n`Cupjin Huang <https://github.com/pertoX4726>`__ (University of Michigan),\n`Josh Izaac <https://github.com/josh146>`__ (Xanadu),\n`Zhang Jiang <https://ti.arc.nasa.gov/profile/zjiang3>`__ (NASA),\n`William Kirby <https://williammkirby.com>`__ (Tufts University),\n`Xinle Liu <https://github.com/sheilaliuxl>`__ (Google),\n`Sam McArdle <https://github.com/sammcardle30>`__ (Oxford),\n`Matthew Neeley <https://github.com/maffoo>`__ (Google),\n`Thomas O'Brien <https://github.com/obriente>`__ (Leiden University),\n`Bryan O'Gorman <https://ti.arc.nasa.gov/profile/bogorman>`__ (UC Berkeley, NASA),\n`Isil Ozfidan <https://github.com/conta877>`__ (D-Wave Systems),\n`Max Radin <https://github.com/max-radin>`__ (UC Santa Barbara),\n`Jhonathan Romero <https://github.com/jromerofontalvo>`__ (Harvard),\n`Daniel Sank <https://github.com/DanielSank>`__ (Google),\n`Nicolas Sawaya <https://github.com/nicolassawaya>`__ (Harvard),\n`Bruno Senjean <https://github.com/bsenjean>`__ (Leiden University),\n`Kanav Setia <https://github.com/kanavsetia>`__ (Dartmouth),\n`Hannah Sim <https://github.com/hsim13372>`__ (Harvard),\n`Damian Steiger <https://github.com/damiansteiger>`__ (ETH Zurich),\n`Mark Steudtner <https://github.com/msteudtner>`__ (Leiden University),\n`Qiming Sun <https://github.com/sunqm>`__ (Caltech),\n`Wei Sun <https://github.com/Spaceenter>`__ (Google),\n`Daochen Wang <https://github.com/daochenw>`__ (River Lane Research),\n`Chris Winkler <https://github.com/quid256>`__ (University of Chicago),\n`Fang Zhang <https://github.com/fangzh-umich>`__ (University of Michigan) and\n`Emiel Koridon <https://github.com/Emieeel>`__ (Leiden University).\n\nHow to cite\n===========\nWhen using OpenFermion for research projects, please cite:\n\n Jarrod R McClean, Nicholas C Rubin, Kevin J Sung, Ian D Kivlichan, Xavier Bonet-Monroig,\n Yudong Cao, Chengyu Dai, E Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale,\n Thomas H\u00e4ner, Tarini Hardikar, Vojt\u011bch Havl\u00ed\u010dek, Oscar Higgott, Cupjin Huang, Josh Izaac,\n Zhang Jiang, Xinle Liu, Sam McArdle, Matthew Neeley, Thomas O'Brien, Bryan O'Gorman,\n Isil Ozfidan, Maxwell D Radin, Jhonathan Romero, Nicolas P D Sawaya, Bruno Senjean,\n Kanav Setia, Sukin Sim, Damian S Steiger, Mark Steudtner, Qiming Sun, Wei Sun, Daochen Wang,\n Fang Zhang, and Ryan Babbush\n *OpenFermion: The Electronic Structure Package for Quantum Computers*.\n `Quantum Science and Technology 5.3 (2020): 034014 <https://iopscience.iop.org/article/10.1088/2058-9565/ab8ebc/meta>`__.\n\nWe are happy to include future contributors as authors on later releases.\n\nDisclaimer\n==========\n\nCopyright 2017 The OpenFermion Developers.\nThis is not an official Google product.\n",
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