Version 0.4

0.4.0

Explicit standardization of the cell is no longer required! Previously the user had to explicitly standardize the cell of the crystal in order to have access to the high symmetry k points. Now the standardization matrix is computed and used to map the relative coordinates from the standard primitive cell to the actual primitive cell of the lattice/crystal.

Documentation of the Bravais lattices and on formal notation used in the package was drastically improved. Please visit the user guide to see the changes.

Support for Python 3.8 was removed. Minimal version of Python used for automatic testing is 3.9.

• Add StandardizationTypeMismatch exception.

• Function Kpoints.coordinates() is removed, use Kpoints.ticks() instead.

• Setter for the Lattice.kpoints() is removed to avoid confusion.

• Fix the bag with Lattice.copy(). return statement was missing.

• Remove TRANSFORM_TO_CONVENTIONAL from wulfric.constants. It was substituted by C_MATRICES.