.. toctree:: :maxdepth: 1 :hidden: User Guide support api/index release-notes/index contribute/index cite :Release: |version| :Date: |release_date| **Useful links**: :ref:`Installation ` | :ref:`user-support` | `Issue Tracker `_ | :ref:`Citation guide ` **************** What is wulfric? **************** Wulfric is a python package for the crystal structures. It uses concepts of ``cell``, ``atoms``, ``k-points`` and provides a simple skeleton for the user to built on (see :ref:`user-guide_usage_key-concepts`). The functionality of wulfric includes (but not limited to): * Choice of the conventional and primitive cells (:ref:`user-guide_conventions_which-cell`). * Automatic choice of the :ref:`Kpoints ` and k-path for all :ref:`Bravais lattice types ` and space groups. * Full support for Setyawan and Curtarolo ("SC") convention. See :ref:`sphx_glr_user-guide_conventions_bravais-lattices_2_sc` for examples. * Full support for Hinuma, Pizzi, Kumagai, Oba, Tanaka ("HPKOT") convention. Wulfric follows the paper, but provides an implementation alternative to |seekpath|_. See :ref:`sphx_glr_user-guide_conventions_bravais-lattices_1_hpkot` for examples. * Convenient interface to part of |spglib|_. All symmetry-related functions of wulfric are powered by |spglib|_. To read more see :ref:`user-guide_usage_spglib-interface`. * Visualization of cells, atoms, lattices and crystals. See :ref:`user-guide_usage_visualization` for examples. * Common :ref:`user-guide_usage_cell` and :ref:`user-guide_usage_crystal`. ************************************* How is this documentation structured? ************************************* * Code examples are given in the :ref:`user-guide`. * Full public API is described in :ref:`api`. * To get some support and ask questions see :ref:`user-support`. * To understand how wulfric performs transformations and rotations, how it stores cells, atom positions and k-points see :ref:`user-guide_conventions_basic-notation` and :ref:`user-guide_usage_key-concepts`. * To understand the difference between various cells see :ref:`user-guide_conventions_which-cell`. * To see examples of what wulfric can visualize see :ref:`user-guide_usage_visualization_examples`. ********************************************* Example of some of the wulfric's capabilities ********************************************* .. hint:: Click on the legend to hide the data .. raw:: html