Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Feature/improve intro #46

Merged
merged 2 commits into from
Nov 29, 2023
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
37 changes: 21 additions & 16 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,7 +1,3 @@
# kpm-tools

=======

# KPM Tools

[![PyPI](https://img.shields.io/pypi/v/kpm-tools.svg)][pypi_]
Expand All @@ -25,18 +21,13 @@
[pre-commit]: https://github.com/pre-commit/pre-commit
[black]: https://github.com/psf/black

KPM Tools is an open-source Python package that extends the Kernel Polynomial Method (KPM) functionalities of [Kwant](https://kwant-project.org/), a popular software for quantum transport simulations in tight-binding models. Our package specifically enhances the KPM expansion capabilities within the realm of closed tight-binding systems.

## Features

- KPM expansion of typical spectal functions
- Density of states
- Green's functions
- Kubo conductivity
- Chern marker
- Time evolution
- Tools for system with periodic boundaries
- KPM vector factories that produces tiles
- Velocity operators adapted to periodic boundaries
- Distance operators adapted to periodic boundaries
- Advanced KPM expansion of typical spectral functions like Density of States, Green's Functions, Kubo Conductivity, and Chern Markers.
- Extremely efficient time evolution operator expansion
- Additional functionalities like KPM vector factories producing tiles, and velocity and distance operators adapted to periodic boundaries.

## Requirements

Expand All @@ -56,8 +47,7 @@ Please see the [python api reference] for details.

## Contributing

Contributions are very welcome.
To learn more, see the [Contributor Guide].
Contributions, especially in documentation and the 'concatenator' function/module, are very welcome. For more information, see our [Contributor Guide].

## License

Expand All @@ -71,6 +61,21 @@ please [file an issue] along with a detailed description.

## Credits

Many of the ideas implemented in KPM Tools originate from the early work on KPM expansion on the paper

_Computation of topological phase diagram of disordered PbSnTe using the kernel polynomial method_.

[Phys. Rev. Research 2, 013229 (2020)](https://doi.org/10.48550/arXiv.1905.02215)
[arXiv:1905:02215](https://arxiv.org/abs/1905.02215)

Consider citing that work if you use this package on a publication.

### Acknowledgments to Kwant

KPM Tools is built upon the robust and efficient foundation provided by Kwant. We extend our gratitude to the Kwant authors and contributors for their work in developing a versatile platform for quantum transport simulations. KPM Tools aims to complement Kwant's capabilities in KPM expansions, adhering to the high standards of quality and performance set by the Kwant project.

### Project Template

This project was generated from [@cjolowicz]'s [Hypermodern Python Cookiecutter] template.

[@cjolowicz]: https://github.com/cjolowicz
Expand Down
2 changes: 1 addition & 1 deletion docs/tutorials.md
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
maxdepth: 1
---

tutorials/tutorial_operator_and_functions
tutorials/tutorial_operators_and_functions
tutorials/tutorial_conductivity
tutorials/tutorial_bloch
tutorials/tutorial_tiles
Expand Down
Loading