pycommute 1.0.0

Python bindings for the libcommute C++ library

pycommute is a Python package providing bindings for the libcommute quantum operator algebra library.

You can find a few usage examples and an API reference at pycommute's documentation website.

Automated installation of the PyPI package

$ pip install pycommute

Automated installation of the conda package

$ conda install krivenko::pycommute

Installation from sources

• Download source code of libcommute 1.0.0 or newer and optionally install it.

• Install Python prerequisites:

  • packaging >= 17.0
  • pybind11 >= 3.0.0
  • numpy >= 1.12.0

• Run the following command in the unpacked source archive of pycommute,

LIBCOMMUTE_INCLUDEDIR="<path_to_libcommute>/include" pip install .

<path_to_libcommute> must be either installation or source directory of libcommute.

Docker images

Docker images of tagged releases of pycommute are available from Docker Hub.

$ docker run --rm -p 8888:8888 ikrivenko/pycommute:latest

This command will pull the most recent image and launch a Jupyter notebook server accessible at http://127.0.0.1:8888/. The server is run in a directory with a few interactive example notebooks.

Citing

If you find this package useful for your research, you can help me by citing it using the following BibTeX entry.

@article{pycommute,
    title = {{libcommute/pycommute: A quantum operator algebra domain-specific
              language and exact diagonalization toolkit}},
    author = {Igor Krivenko},
    journal = {SoftwareX},
    volume = {17},
    pages = {100937},
    year = {2022},
    issn = {2352-7110},
    doi = {10.1016/j.softx.2021.100937}
}

License

This Source Code Form is subject to the terms of the Mozilla Public License, v. 2.0. If a copy of the MPL was not distributed with this file, You can obtain one at http://mozilla.org/MPL/2.0/.