Wulfric

Crystal, Lattice, Atoms, K-path.

Wulfric is a python package for the crystal structures. It uses a simple concepts of cell and atoms and provides a set of functions for the manipulations with them.

The functionality of wulfric includes (but not limited to):

• Calculation of Bravais lattice type and variation.
• Automatic choice of the Kpoints and K-path based on Bravais lattice types.
• Set of useful functions for manipulations with cells and crystalls (cell + atoms).
• Implementation of LePage and Niggli reduction algorithms.

Please visit an extensive documentation on wulfric.org to find out more.

Installation

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

pip install wulfric

To install with optional visualization capabilities, run (you may need to use pip3):

pip install "wulfric[visual]"