.. _release-notes_0.5:

***********
Version 0.5
***********

Whats new?
----------
Rewrite the internals of the 
:py:class:`.ExchangeHamiltonian`.

The idea is to allow one to modify the model with respect to the expected 
symmetry and desired accuracy of the parameters. Furthermore, :py:class:`.ExchangeHamiltonian`
is iterable, support index access and ``in`` function.

The distances of the bonds are not directly read from the TB2J exchange file, but computed based on the atoms's positions.

:ref:`Bond <api_parameter>` class does 
not contain information about the distance. 

When exchange model is read from the TB2J exchange file the order of bonds is 
kept as the insert order of the python's dicts.

Remove double-bonds argument from :ref:`rad-plot-tb2j.py <rad-plot-tb2j>` 
script and add :ref:`--force-symmetry <rad-plot-tb2j_force-symmetry>` argument, 
which force the symmetry of the template to the plotted model.


0.5.1
-----

Bugfix in :py:meth:`.force_symmetry`.

0.5.2
-----

Bugfix in :py:meth:`.HighSymmetryPoints.add_kpoint`.

0.5.3/0.5.4/0.5.5
-----------------
Bugfix in :ref:`rad-extract-tb2j.py <rad-extract-tb2j>`

0.5.6
-----
Move the scripts 
:ref:`rad-extract-tb2j.py <rad-extract-tb2j>`,
:ref:`rad-plot-tb2j.py <rad-plot-tb2j>` and
:ref:`rad-make-template.py <rad-make-template>` to the package.

Remake :ref:`rad-extract-tb2j.py <rad-extract-tb2j>` script, remove python file output, 
create only two modes of outputs.

0.5.7
-----
Add :py:meth:`.ferromagnetic_energy` method to the :py:class:`.ExchangeHamiltonian`

Full remake of :ref:`rad-plot-dos.py <rad-plot-dos>` script.

0.5.8
-----
Rename all arguments to input/output paths, not dirs.

0.5.9/0.5.10/0.5.11
-------------------
Bugfix when seedname of pdos files contains pdos_tot

0.5.12
------
Renamed ``--tb2j-filename`` argument 
to the :ref:`--input-filename.py <rad-make-template_input-filename>`
in the :ref:`rad-make-template.py <rad-make-template>` script in order to match 
naming style.

Remove ``phonopy-plotter.py`` script.

0.5.13
------
Plot atoms in 0 0 0 unit cell in colour for 
:ref:`rad-plot-tb2j.py <rad-plot-tb2j>` script.

0.5.14
------
Bugfix in :ref:`rad-plot-tb2j.py <rad-plot-tb2j>` script.
Problem with :ref:`--force-symmetry <rad-plot-tb2j_force-symmetry>` if there is filtering by non-template parameters.

0.5.15
------
Add version of the package to the information header of the output files. 

0.5.16
------
Add :py:meth:`ExchangeHamiltonian.remove` method to the 
:py:class:`.ExchangeHamiltonian`

0.5.17
------
Rewrite parsers of the scripts and 
add |black|_ code formatter.

0.5.18
------
Change the colours in :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Add support for the k-resolved DOS.

0.5.19
------
Bugfix in :ref:`rad-plot-dos.py <rad-plot-dos>` script. 

0.5.20
------
Remove search for the middle of the bond 
in :ref:`rad-identify-wannier-centres.py <rad-identify-wannier-centres>` script. 

0.5.21
------
Major change of :ref:`rad-plot-dos.py <rad-plot-dos>` script. Add ``dos`` module. 
Release for debugging. Main release will happen with the change to 0.6.* version.

0.5.22
------
Bugfix. Windows-specific bug with "/" used instead of ``join()`` in some cases.
Bugfix for cases when atom names contains numbers.

0.5.23
------
Bugfix with pickle outputs.

0.5.24
------
In :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Make all legends draggable only for interactive mode.

0.5.25
------
In :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Add plotting regime :ref:`--background-total <rad-plot-dos_background-total>`.

0.5.26
------
In :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Correct ``efermi`` bug in pdos-vs-dos plot (there was no shift).

0.5.27
------
In :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Correct ``efermi`` bug in pdos-vs-dos plot (shift lead to the disappearance of the states).

0.5.28/0.5.29
-------------
In :ref:`rad-plot-dos.py <rad-plot-dos>` script. 
Fix previous bugfix.