.. _release-notes_0.8:

***********
Version 0.8
***********

**Date:** 22 August 2023

Whats new?
----------
Restructure the class hierarchy:

* :py:class:`.Lattice` is now a parent of the :py:class:`.Crystal` class.
* :py:class:`.Crystal` is now a parent of the :py:class:`.SpinHamiltonian` class.

Rename module ``exchange`` to ``spinham``. The idea is to focus on the general spin
Hamiltonian, which is not limited to exchange interactions. :py:class:`.ExchangeHamiltonian`
is now :py:class:`.SpinHamiltonian`. The name ``ExchangeHamiltonian`` is still available
as an alias for backwards compatibility.

Introduce new module: :ref:`api_magnons`. This module envelope magnon-related logic.
Corresponding script :ref:`rad-plot-tb2j-magnons` plots magnon dispersion from |TB2J|_
file.

``routines`` module is separated into different modules, which are grouped by the logic:

* :ref:`api_geometry`
* :ref:`api_decorate`
* :ref:`api_numerical`

All custom exceptions are gathered in the :ref:`api_exceptions` module. As the amount of
custom exceptions is intended to be small, they are placed in the one file.

On contrary, the constants are placed in the corresponding ``constants.py``
files across submodules.

Fully functional :py:class:`.Kpoints` class is introduced. It covers the details of the high
symmetry points and paths for the Brillouin zone. The class offers simple interface to
generate k-points mesh and to plot the paths.

:py:func:`.print_2d_array` now supports headers and footers both for rows and columns.

:ref:`rad-identify-wannier-centres_input-filename` is no longer a positional one.

Concept ``output_path`` + ``output_name`` is changed to the concept of ``output_name``.
In all scripts the argument ``output_path`` is removed and the argument ``output_name``
is added. In different scripts the argument ``output_name`` could mean the file or folder.
For the user the usage is the same.

In all scripts the output now is saved at the same place where the input is located.


0.8.1
-----

Add new attributes to the :py:class:`.ExchangeParameter` class:

* :py:attr:`.ExchangeParameter.xx`
* :py:attr:`.ExchangeParameter.xy`
* :py:attr:`.ExchangeParameter.xz`
* :py:attr:`.ExchangeParameter.yx`
* :py:attr:`.ExchangeParameter.yy`
* :py:attr:`.ExchangeParameter.yz`
* :py:attr:`.ExchangeParameter.zx`
* :py:attr:`.ExchangeParameter.zy`
* :py:attr:`.ExchangeParameter.zz`

Add :py:meth:`.dump_vampire`. (preliminary version, to be improved)

Add new predefined notation to the :py:class:`.SpinHamiltonian` class: "vampire"

Fix :issue:`5`.

0.8.2
-----

Correct behaviour of :py:attr:`.SpinHamiltonian.notation` for single-ion like terms.

0.8.3
-----

Fix :issue:`6`.

0.8.4
-----

* New behaviour for the ``__main__`` of the module:
    .. code-block:: bash

        python3 -m radtools

    instead of

    .. code-block:: bash

        python3 -m radtools --info

    New:

    .. code-block:: bash

        python3 -m radtools --license

* Change path to abspath for the input file in the txt output of :ref:`rad-plot-tb2j-magnons`.
    Every input source in each script is now saved as an absolute path.
    If not the case, please :ref:`report a bug <contribute_bug>`.

0.8.5
-----

Major update of the lattice plotting:

* All "colour" arguments are replaced with "color".

* Plotting moved from the lattice class to the external Backend classes.

* Add |plotly|_ backend.
    Note that plotly is not added to the package dependencies.

0.8.6
-----

Fix problems with the new plotting backend.

0.8.7
-----

Add io for the |POSCAR|_ files: :py:func:`.load_poscar` and :py:func:`.dump_poscar`.
Add ``encoding="utf-8"`` to all txt outputs.
It was causing the problems when saving outputs on the windows platform.

0.8.8
-----

Add utf-8 to the one forgotten place. It is advised to skip 0.8.7 and install 0.8.8 instead.

0.8.9
-----

Add :ref:`custom k-points <rad-plot-tb2j-magnons_custom-k-points>` to the :ref:`rad-plot-tb2j-magnons` script.
Change default colors for the magnon dispersion plots.

0.8.10
------

Minor improvements. Add parameters to the :py:meth:`.MagnonDispersion.omega`.

0.8.11
------

Bugfix in :py:func:`.dump_ucf`. - number of materials was not written. It is working properly now. SKIP, install 0.8.12 instead.

0.8.12
------

Hotfix for 0.8.11 (Missed imports).

0.8.13
------

Add the summary message to the :ref:`rad-identify-wannier-centres` script.

0.8.14
------

Resolve :issue:`19`

.. warning::
    Skip this release in favour of 0.9.0