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Scripts for condense matter calculations and post-processing.

Project description

Various scripts for condense matter calculations and post-processing.

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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 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

Project details


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0.8.1

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