.. _release-notes_0.3:

***********
Version 0.3
***********


0.3.1
=====

* Add :py:meth:`.Kpoints.hs_table` method, that displays the table with the high-symmetry
  points.

* Add ``convention`` argument to the :py:func:`.lattice_example` function.


0.3.0
=====

.. warning::

  This version introduces some breaking changes. Please read carefully the
  following release notes.

Whole wulfric was refactored. Majority of the functionality remained the same,
however in some parts of the package the interface or the internal organization changed.
Therefore version 0.3 introduce some breaking changes:

* :py:class:`.Atom`

  - Spin and magnetic moment are related trough :py:attr:`.Atom.g_factor`.
  - Spin, magnetic moment now have default values and always return a value
    (previously if undefined they raised a ``ValueError``).

* Standardization is not silent anymore:

  - No automatic standardization is performed when the :py:class:`.Lattice` or :py:class:`.Crystal` is created.
  - If method or property requires standardization, it will raise a ``ValueError`` if the object is not standardized.
  - Standardization can be called explicitly via :py:meth:`.Lattice.standardize` and :py:meth:`.Crystal.standardize`

* Add :py:meth:`.Crystal.copy()`, :py:meth:`.Lattice.copy()`,
  :py:meth:`.Atom.copy()` and :py:meth:`.Kpoints.copy()` methods.

* Add :py:meth:`.Crystal.shift_atoms` and :py:meth:`.Crystal.cure_negative` methods.

* Add ``delta_max`` parameter to the :py:meth:`.Lattice.type` method.