Scripts for condense matter calculations and post-processing.
Project description
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 (>=3.6)
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 git@github.com: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
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