Wulfric

Release:

0.3.0

Date:

26 February 2024

Useful links: Installation | Issue Tracker | Cite us | Support

What is Wulfric?

Wulfric is a python package for the description and symmetries of crystal structures. It combines the concept of the Lattice, Atom and Crystal and provides a simple skeleton for other codes to built on.

The functional of Wulfric includes (but not limited to):

• Lattice, Atom and Crystal classes.

• Bravais lattice standardization.

• Automatic choice of the Kpoints and K-path for all Bravais lattice types.

• Standalone lepage() and niggli() algorithms.

• Primitive visualisation of the various lattice's cells.

Getting Started

Check out the Quickstart Guide.

To the quickstart guide

User Guide

User guide describes two main ways of using wulfric.

To the user guide

API Reference

Api Reference guide describes all classes and method of the package, how they work and which parameters they support.

To the API reference

Contributor's Guide

Every kind of contribution is welcomed!

To the contributor's guide

Note

The terminal output is colored by default. However, we respect NO_COLOR.