Package: kwantspectrum
kwantSpectrum is an extension toKwantthat
adaptively analyzes band structures of infinite quasi-1d systems.  The
bandstructure is approximated to an arbitrary precision by piecewise cubic
polynomials.  Functionality to deal with special points, intervals, and the
periodic nature of the spectrum is provided.kwantSpectrum is distributed under the2-clause BSD licenseWebsite:https://kwant-project.org/extensions/kwantspectrumSource code:https://gitlab.kwant-project.org/kwant/kwantspectrumConda package:https://github.com/conda-forge/kwantspectrum-feedstockInstallationkwantSpectrum packages are hosted on PyPI and conda.
The installation should work GNU/Linux system as Debian and Ubuntu,
as well as on MacOS and Windows.PyPI:python3 -m pip install --user kwantspectrumconda:conda install -c conda-forge kwantspectrumInstallation from sourcekwantSpectrum can be installed directly from the source code repository:python3 -m pip install --user git+https://gitlab.kwant-project.org/kwant/kwantspectrum.gitFor development, kwantSpectrum can be cloned from the official repository with:git clone https://gitlab.kwant-project.org/kwant/kwantspectrum.gitThe requirements listed below must be installed by hand.Build requirementskwantSpectrum has following non-Python dependency:KwantKwant can be installed with the following command:sudo apt-add-repository -s ppa:kwant-project/ppa
sudo apt-get update
sudo apt-get install python3-kwantkwantSpectrum requires at least Python 3.5. The following packages must
be installed to build kwantSpectrum:NumPySciPyThe packages can be installed by the standardpipcommand:python3 -m pip install --user numpy scipyTesting requirementsThe kwantSpectrum test suite requires the following Python packages:pytestpytest-covThe packages can be installed by the standardpipcommand:python3 -m pip install --user pytest pytest-covDocumentation requirementsBuilding the documentation requires the following Python packages:matplotlibsphinxjupyter-sphinxThe packages can be installed by the standardpipcommand:python3 -m pip install --user matplotlib sphinx jupyter-sphinxTest suiteUnittests can be run directly in the local source repository from the command line:pytestBuilding the documentationThe documentation can be build directly in the/docfolder of the
local source repository from the command line:make htmlThe generated html documentation can be browsed
by opening the filedoc/build/html/index.htmlwith a web browser.DocumentationFull documentation including a tutorial:https://kwant-project.org/extensions/kwantspectrumCommunicationThe kwant-discuss mailing list is the main communication channel for
questions and discussions around kwantSpectrum. Searching and using the mailing list
is explained in sectionmailing list.Mailing list:kwant-discuss@kwant-project.orgIn addition, the authors can be reached by email, see below.ContributingContributions and feedback are always welcome.
Report bugs and follow development through the project repository.
Authors can be reached by email
or a merge request may be opened on the project’s website.
Please make sure that the test suite runs without errors before opening
a new merge request.LicensekwantSpectrum is distributed under BSD license, see the fileLICENSE.rstin the project repository.AuthorsThe principle developer of kwantSpectrum is:Thomas Kloss (CEA Grenoble),kloss@itp.uni-frankfurt.deContributors to the project are:Christoph Groth (CEA Grenoble)Xavier Waintal (CEA Grenoble)Benoît Rossignol (CEA Grenoble)Bas Nijholt (Microsoft)(CEA = Commissariat à l’énergie atomique et aux énergies alternatives)