rad-tools 0.8.1

Scripts for condense matter calculations and post-processing.

Various scripts for condense matter calculations and post-processing.

The package covers post-processing scenarios for the results of Quantum Espresso, TB2J and Wannier90, as well as provides some custom scripts.

It is expected to be used in two ways:

• As Python library

• Via scripts (i.e. usage from command line)

For the detailed description check documentation.

Installation

Requirement for RAD-tools installation are:

• Python itself (>=3.8)

• NumPy

• SciPy

• matplotlib

• tqdm

• termcolor

RAD-tools can be installed with pip or from source.

pip

To install RAD-tools, run (you may need to use pip3):

pip install rad-tools

Installing from source

• Clone the project to your local computer:

git clone [e-mail]:adrybakov/rad-tools.git

• Change the directory:

cd rad-tools

• To install RAD-tools, run (you may need to use pip3):

pip install rad-tools

Additionally you may run the unit tests, which requires pytest (requires Python 3.7+) to be installed:

make test

To install pytest, run (you may need to use pip3):

pip install pytest