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Fix #1137 and #908: replace README.rst with Markdown version & update content #1143
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44d5f7f
Replace README.rst with Markdown version & update content
mhucka 622c705
Add QAI logo image
mhucka df24c27
Fix minor heading & link errors
mhucka 5336a22
Fix a few typos
mhucka 4e6f0ee
More tweaks
mhucka 66d242e
Merge branch 'master' into mh-readme-update
mhucka 279fae0
Merge branch 'master' into mh-readme-update
mhucka 88f5846
Merge branch 'master' into mh-readme-update
mhucka 10416ba
Merge branch 'main' into mh-readme-update
mhucka c7be582
Revert to showing formatted citation instead of bibtex
mhucka 4546db4
Update master → main, now that PR #1151 is merged
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<div align="center"> | ||
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# OpenFermion | ||
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Electronic structure package for quantum computers. | ||
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[](https://www.python.org/downloads/) | ||
[](https://github.com/quantumlib/OpenFermion/blob/main/LICENSE) | ||
[](https://pypi.org/project/OpenFermion) | ||
[](https://img.shields.io/pypi/dm/OpenFermion) | ||
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[Features](#features) – | ||
[Installation](#installation) – | ||
[Plugins](#plugins) – | ||
[Documentation](#documentation) – | ||
[Contributing](#contributing-to-openfermion) – | ||
[Citing](#citing-openfermion) – | ||
[Authors](#authors) – | ||
[Contact](#contact) | ||
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</div> | ||
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## Features | ||
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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). | ||
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## Installation | ||
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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.) | ||
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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. | ||
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### User installation | ||
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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: | ||
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```shell | ||
python -m pip install --user openfermion | ||
``` | ||
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### Developer installation | ||
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To install the latest version of OpenFermion in development mode, run the following commands: | ||
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```shell | ||
git clone https://github.com/quantumlib/OpenFermion | ||
cd OpenFermion | ||
python -m pip install -e . | ||
``` | ||
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## Plugins | ||
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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! | ||
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### High-performance simulators | ||
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* [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. | ||
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### Circuit compilation plugins | ||
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* [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). | ||
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### Electronic structure package plugins | ||
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* [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). | ||
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## Documentation | ||
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Documentation for OpenFermion can be found at | ||
[quantumai.google/openfermion](https://quantumai.google/openfermion) and the following links: | ||
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* [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) | ||
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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). | ||
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## Contributing to OpenFermion | ||
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We'd love to accept your contributions and patches to OpenFermion. There are a few small guidelines | ||
you need to follow. | ||
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* 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. | ||
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## Citing OpenFermion<a name="how-to-cite-openfermion"></a><a name="how-to-cite"></a> | ||
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OpenFermion is the work of many people. When using OpenFermion for research projects, please cite | ||
the [published paper](https://iopscience.iop.org/article/10.1088/2058-9565/ab8ebc/meta): | ||
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> 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. | ||
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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). | ||
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## Authors | ||
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[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). | ||
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We are happy to include future contributors as authors on later releases. | ||
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## Contact | ||
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For any questions or concerns not addressed here, please email [email protected]. | ||
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## Disclaimer | ||
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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). | ||
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Copyright 2017 The OpenFermion Developers. | ||
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<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> |
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Nit - would the unicode ndash character
–
work here as well?Uh oh!
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Yes; however, the reason I think the explicit
–
is preferrable is that in many fonts, the n-dash is very hard to distinguish visually from a hyphen (at least to my eyes), and leads to mixups when different people edit files. Unless you feel strongly about it, I would rather make it more clear to the reader that the longer dash is intended.(Also, these don't have to be n-dashes necessarily; the goal is just to have a visible separator of some kind. Bullets also work, but I found that bullets vary in size and visibility between different fonts.)