https://github.com/savowe/pytalises

Easy to use Schrödinger equation solver
https://github.com/savowe/pytalises

atom-interferometry fourier-transform propagation quantum-mechanics quantum-optics schrodinger schrodinger-equation schroedinger-solver

Last synced: 8 months ago
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Easy to use Schrödinger equation solver

• Host: GitHub
• URL: https://github.com/savowe/pytalises
• Owner: savowe
• License: gpl-3.0
• Created: 2020-09-29T17:38:17.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2022-01-13T21:37:03.000Z (over 4 years ago)
• Last Synced: 2025-10-21T19:51:52.299Z (8 months ago)
• Topics: atom-interferometry, fourier-transform, propagation, quantum-mechanics, quantum-optics, schrodinger, schrodinger-equation, schroedinger-solver
• Language: Python
• Homepage: https://pytalises.readthedocs.io/en/latest/
• Size: 11.6 MB
• Stars: 8
• Watchers: 2
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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# pyTALISES

**pyTALISES** (This Ain't a LInear Schrödinger Equation Solver) is an easy-to-use Python implementation of the Split-Step Fourier Method, for numeric calculation of a wave function's time-propagation under the Schrödinger equation.

### Features

- Calculation of a wavefunction's time propagation under a (non)linear Schrödinger equation: ![](https://latex.codecogs.com/png.latex?%5Cdpi%7B120%7D%20i%5Chbar%20%5Cfrac%7B%5Cpartial%7D%7B%5Cpartial%20t%7D%20%5CPsi%20%28%5Cvec%7Br%7D%2C%20t%29%20%3D%20%5CBig%5BV%28%5CPsi%2C%5Cvec%7Br%7D%2C%20t%29%20+%20%5Cfrac%7B%5Chbar%5E2%7D%7B2m%7D%5Cnabla%5E2%20%5CBig%5D%20%5CPsi%20%28%5Cvec%7Br%7D%2C%20t%29)

- the wave-function ![](https://latex.codecogs.com/gif.latex?%5Cdpi%7B100%7D%20%5CPsi) may include an arbitrary number of internal and external degrees of freedom

- simple implementation of Hamiltonians

- speed of the [FFTW](https://pypi.org/project/pyFFTW/), [BLAS](https://www.netlib.org/blas/) and [numexpr](https://numexpr.readthedocs.io/en/latest/) libaries with multithreading

- crucial functions are just-in-time compiled with [numba](https://numba.readthedocs.io/en/stable/)

### Documentation

Read the [documentation](https://pytalises.readthedocs.io/en/latest/) to learn more about pytalises' capabilities.

The documentation features many examples, among others

[2D harmonic potentials](https://pytalises.readthedocs.io/en/latest/examples.html#2D-harmonic-potential), 

[BEC scattering](https://pytalises.readthedocs.io/en/latest/examples.html#Nonlinear-interactions-between-internal-states), 

[three-level Raman transitions](https://pytalises.readthedocs.io/en/latest/additional_examples.html#Three-level-Raman-transitions), 

[single-Bragg diffraction](https://pytalises.readthedocs.io/en/latest/additional_examples.html#Single-Bragg-diffraction) 

and

[atom interferometry](https://pytalises.readthedocs.io/en/latest/additional_examples.html#Light-pulse-atom-interferometry-with-single-Bragg-diffraction).

Installing pytalises

====================

**We recommend installing pytalises via conda**

_Note from 2020/11/27_: the new Python 3.9 release is currently not supported by the numba libary. [They plan to implement a working version early 2021](https://github.com/numba/numba/issues/6345#issuecomment-738696458). So long just use Python 3.6-3.8 with pytalises.

#### Using conda

Installing `pytalises` from the `conda-forge` channel can be achieved by adding `conda-forge` to your channels with:

```

conda config --add channels conda-forge

```

Once the `conda-forge` channel has been enabled, `pytalises` can be installed with:

```

conda install pytalises=0.2.7

```

#### Using pip

pytalises is available on the Python Package Index and can be installed via

```

pip install pytalises==0.2.7

```

it has dependencies via `scipy` and `numba` on BLAS and LAPACK libraries that are not always found on windows systems. For linux they can usually be located.