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qtpyt is the a python package for quantum transport simulations.

Project description

# pyqt

A quantum transport library based on the non equilibrium Green’s function (NEGF) formalism written in Python.

## Getting Started

These instructions will get you a copy of the project up and running on your local machine for development and testing purposes. See deployment for notes on how to deploy the project on a live system.

### Prerequisites

> Ase https://wiki.fysik.dtu.dk/ase/ > numpy https://github.com/numpy

### Installing

pip install qtpyt

## Running the tests

pytest subfolder/tests

### Upload

# change version number.

twine upload –repository testpypi dist/qtpyt-0.0.tar.gz

### Register

python setup.py sdist

### Build Cython

python setup.py build_ext –inplace

### Install develop

pip install -e .

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