Package for time-dependent quantum transport simulations
Project description
Tkwant is a python package to simulate time-dependent quantum dynamics of mesoscopic systems. It is the time-dependent generalization of the Kwant package and distributed under 2-clause BSD license. Tkwant is developed by the following authors.
Website: https://tkwant.kwant-project.org
Installation
Installation from source
Tkwant can currently only installed from its source. Please visit the installation instructions.
Development
Source code
The official tkwant repository is:
Source code repository: https://gitlab.kwant-project.org/kwant/tkwant.git
The master branch holds the current development version.
Test suite
Unittests can be run directly in the local tkwant source repository from the command line:
pytest
Integration tests, that require more time to run, are started with the command:
pytest --integtest
Tests involving MPI can be run by the command:
pytest --mpitest
The test suite needs the Python packages pytest to be installed and tkwant compiled. Please visit the installation instructions. Additional pep8 compliance checks can be activated with:
pytest --flake8
when the optional pytest-flake8 package is installed.
Building the documentation
The documentation can be build directly in the doc folder of the local tkwant 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. To build the documentation, additional Python packages need to be installed. Please visit the installation instructions.
Contribution
Contributions and feedback to tkwant are always welcome. We also appreciate if you have suggestions for the documentation or find new bugs. If you like to contribute new features, feel free do discuss your ideas on the mailing list before opening a merge request. Moreover, please make sure that the tkwant test suite runs without errors before opening a new merge request. See the Contribution section of kwant for coding style and general advice.
License
Tkwant is distributed under 2-clause BSD license. The license can be also found in file LICENSE.rst in the project repository.
Help and Support
Documentation
The official user and developer documentation is found under:
development (master branch): https://tkwant.kwant-project.org/doc/dev
Communication
The kwant-discuss mailing list is the main communication channel for questions and discussions around tkwant. Searching and using the mailing list is explained in section mailing list.
Mailing list: kwant-discuss@kwant-project.org
Reporting bugs
If you encounter a problem that seems to be a bug of tkwant, you can open a ticket with the issue tracker.
Issue tracker: https://gitlab.kwant-project.org/kwant/tkwant/issues
Please make sure that the problem has not yet been reported in the List of known tkwant bugs. You may also search the mailing list prior to open a new ticket. See the the Reporting bugs section of kwant for general advice.
Citation
If you have used tkwant for work that has lead to a scientific publication, we would appreciate if you cite the publication which introduces tkwant:
T. Kloss, J. Weston, B. Gaury, B. Rossignol, C. Groth and X. Waintal, Tkwant: a software package for time-dependent quantum transport New J. Phys. 23, 023025 (2021), arXiv:2009.03132 [cond-mat.mes-hall].
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