VASProcar-qsymm 1.3.0
Symmetry finder and symmetric Hamiltonian generator
License: BSD
Requires Python: >=3.7

# Qsymm

[![Install with pip](https://img.shields.io/pypi/v/qsymm.svg)](https://pypi.python.org/pypi/qsymm)
[![install wtih conda](https://img.shields.io/badge/install%20with-conda-green.svg)](https://anaconda.org/conda-forge/qsymm)
[![pipeline status](https://gitlab.kwant-project.org/qt/qsymm/badges/master/pipeline.svg)](https://gitlab.kwant-project.org/qt/qsymm/commits/master)
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[![docs status](https://readthedocs.org/projects/pip/badge/?version=latest&style=flat)](https://qsymm.readthedocs.io/en/latest/)

**Symmetry finder and symmetric Hamiltonian generator**

`qsymm` is an [open-source](LICENSE) Python library that makes symmetry analysis simple.

It automatically generates model Hamiltonians from symmetry constraints
and finds the full symmetry group of your Hamiltonian.

Check out the [introductory tutorial][basic_tutorial] to see examples of how to use `qsymm`.

## Implemented algorithms

![summary of methods](summary.svg "Summary of methods")

The two core concepts in `qsymm` are _Hamiltonian families_ (Hamiltonians that may depend on
free parameters) and _symmetries_. We provide powerful classes to handle these:

+ `Model` is used to store symbolic Hamiltonians that may depend on momenta and other free parameters.
  We use `sympy` for symbolic manipulation, but our implementation utilizes `numpy` arrays for
  efficient calculations with matrix valued functions.

+ `PointGroupElement` and `ContinuousGroupGenerator` are used to store symmetry operators.
  Besides the ability to combine symmetries, they can also be applied to a `Model` to transform it.

We implement algorithms that form a two-way connection between Hamiltonian families and symmetries.

+ Symmetry finding is handled by `symmetries`, it takes a `Model` as input and finds all of its symmetries,
  including conserved quantities, time reversal, particle-hole, and spatial rotation symmetries.
  See the [symmetry finder tutorial][symmetry_finder_tutorial] and the
  [kekule tutorial][kekule_tutorial] for detailed examples.

+ `continuum_hamiltonian` and `bloch_family` are used to generate __k.p__ or lattice Hamiltonians
  from symmetry constraints. See the [k-dot-p generator tutorial][kdotp_generator_tutorial],
  the [Bloch generator tutorial][bloch_generator_tutorial] and the
  [kekule tutorial][kekule_tutorial] for detailed examples.

## Installation
`qsymm` works with Python 3.5 and is available on PyPI:
```bash
pip install qsymm
```

Some of the example notebooks also require [Kwant](https://kwant-project.org/).

## Documentation
Qsymm's documentation is hosted on [Read the Docs](https://qsymm.readthedocs.io/en/latest/)

## Citing
Check out [CITING.md](CITING.md) for instructions on how to cite Qsymm in your publications.

## Development
`qsymm` is on [Gitlab](https://gitlab.kwant-project.org/qt/qsymm), visit there if you would
like to to contribute, report issues, or get the latest development version.


[basic_tutorial]: https://qsymm.readthedocs.io/en/latest/tutorial/basics.html
[symmetry_finder_tutorial]: https://qsymm.readthedocs.io/en/latest/tutorial/symmetry_finder.html
[bloch_generator_tutorial]: https://qsymm.readthedocs.io/en/latest/tutorial/bloch_generator.html
[kdotp_generator_tutorial]: https://qsymm.readthedocs.io/en/latest/tutorial/kdotp_generator.html
[kekule_tutorial]: https://qsymm.readthedocs.io/en/latest/tutorial/kekule.html