Wulfric#
- Release:
0.5.4
- Date:
14 April 2025
Useful links: Installation | Issue Tracker | Cite us | Support
What is wulfric?#
Wulfric is a python package for the crystal structures. It uses a simple concepts of
cell and atoms and provides a simple skeleton for other codes to built on (see
Key concepts).
The functionality of wulfric includes (but not limited to):
Calculation of Bravais lattice type and variation.
Automatic choice of the Kpoints and K-path for all Bravais lattice types.
Set functions for Manipulations with cell, Manipulations with atoms and cell.
Further reading#
Good starting point is the Key concepts page. Afterwards, we recommend to continue with the Fundamentals and usage, where examples are given.
For the full description of adopted Bravais lattices and high-symmetry K-points see Bravais lattices.
For the full technical reference of the public part of the package see API reference.
Some of the algorithms implemented in wulfric are described in the Methods and algorithms.