Adaptive band structure analyzer for Kwant leads
Project description
kwantSpectrum is an extension to Kwant that 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 the 2-clause BSD license
Website: https://kwant-project.org/extensions/kwantspectrum
Source code: https://gitlab.kwant-project.org/kwant/kwantspectrum
Conda package: https://github.com/conda-forge/kwantspectrum-feedstock
Installation
kwantSpectrum 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 kwantspectrum
conda:
conda install -c conda-forge kwantspectrum
Installation from source
kwantSpectrum can be installed directly from the source code repository:
python3 -m pip install --user git+https://gitlab.kwant-project.org/kwant/kwantspectrum.git
For development, kwantSpectrum can be cloned from the official repository with:
git clone https://gitlab.kwant-project.org/kwant/kwantspectrum.git
The requirements listed below must be installed by hand.
Build requirements
kwantSpectrum has following non-Python dependency:
Kwant 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-kwant
kwantSpectrum requires at least Python 3.5. The following packages must be installed to build kwantSpectrum:
The packages can be installed by the standard pip command:
python3 -m pip install --user numpy scipy
Testing requirements
The kwantSpectrum test suite requires the following Python packages:
The packages can be installed by the standard pip command:
python3 -m pip install --user pytest pytest-cov
Documentation requirements
Building the documentation requires the following Python packages:
The packages can be installed by the standard pip command:
python3 -m pip install --user matplotlib sphinx jupyter-sphinx
Test suite
Unittests can be run directly in the local source repository from the command line:
pytest
Building the documentation
The documentation can be build directly in the /doc folder of the local source repository from the command line:
make html
The generated html documentation can be browsed by opening the file doc/build/html/index.html with a web browser.
Documentation
Full documentation including a tutorial:
Communication
The kwant-discuss mailing list is the main communication channel for questions and discussions around kwantSpectrum. Searching and using the mailing list is explained in section mailing list.
Mailing list: kwant-discuss@kwant-project.org
In addition, the authors can be reached by email, see below.
Contributing
Contributions 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.
License
kwantSpectrum is distributed under BSD license, see the file LICENSE.rst in the project repository.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for kwantspectrum-0.1.1-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 0daaf7d7d21682b6d69b77c5a1b86ac9aae563526d052bdaf3b821f590361e1f |
|
| MD5 | 95ee0aaa1afe6d63d7a0ba4f0da23c0c |
|
| BLAKE2b-256 | bf8f90a513531674650d63b553558205934e342b2f14d77871f7840d3e29acef |
