.. _release-notes_0.7:

***********
Version 0.7
***********

**Date:** 06 June 2023

Whats new?
----------
Major change: name of the package for pip installation is kept the 
same: "rad-tools". All imports in python code moved to "radtools".

New module, which affected other modules as well: :ref:`rad-tools_crystal`.



Add :py:func:`.print_2d_array`. 

Rename :py:func:`.read_exchange_model` to :py:func:`.read_tb2j_model`.

Major design change in the :py:mod:`.exchange`:

* Renamed :py:class:`ExchangeModel` to :py:class:`.ExchangeHamiltonian`
* Move from the concept (atom1, atom2, R) -> bond to the concept (atom1, atom2, R) -> J.
* Made class :py:class:`.ExchangeParameter` from the :py:class:`Bond`.
* Introduce new interface design for the :py:class:`.ExchangeHamiltonian`.
* Iteration over :py:class:`.ExchangeHamiltonian` returns (atom1, atom2, R, J) instead of (atom1, atom2, R).

0.7.1
-----

Write correct behaviour of :py:class:`.ExchangeHamiltonian` with the :py:attr:`.ExchangeHamiltonian.double_counting`:

.. doctest::

    >>> import radtools as rad
    >>> m = rad.ExchangeHamiltonian()
    >>> m.add_atom(rad.Atom("Cr", (0,0,0), spin=3/2))
    >>> m.add_bond(rad.ExchangeParameter(iso=1), "Cr", "Cr", (1,0,0))
    >>> # First time - only setting interpretation, no modification of values
    >>> m.notation = "standard"
    >>> m["Cr", "Cr", (1,0,0)].iso 
    1.0
    >>> m["Cr", "Cr", (-1,0,0)].iso 
    1.0
    >>> m.double_counting
    True
    >>> m.double_counting = False
    >>> m["Cr", "Cr", (1,0,0)].iso 
    2.0
    >>> ("Cr", "Cr", (1,0,0)) in m
    True
    >>> ("Cr", "Cr", (-1,0,0)) in m
    False
    >>> m.double_counting = True
    >>> m["Cr", "Cr", (1,0,0)].iso 
    1.0
    >>> ("Cr", "Cr", (-1,0,0)) in m
    True


Add attribute access to the atoms through atom names to the :py:class:`.Crystal`:

.. doctest::

    >>> import radtools as rad
    >>> c = rad.Crystal()
    >>> c.add_atom(rad.Atom("Cr", index=1))
    >>> c.Cr.fullname
    'Cr__1'
    >>> c.Cr__1.fullname
    'Cr__1'
    >>> c.add_atom(rad.Atom("Cr", index=2))
    >>> c.Cr__1.fullname
    'Cr__1'
    >>> c.Cr__2.fullname
    'Cr__2'
    >>> c.Cr
    Traceback (most recent call last):
    ...
    AttributeError: 'Lattice' object has no attribute 'Cr'

0.7.2
-----

Add magnetic dipole-dipole energy calculator to the :ref:`api_crystal`.

0.7.3
-----

Bugfix in convergence of magnetic dipole-dipole energy (:py:attr:`.Crystal.converge_mag_dipdip_energy`).
Energy difference between steps was not calculated correctly (overestimated). 

0.7.4
-----

Bugfix in the :ref:`rad-plot-dos`: For spin-polarized PDOS :ref:rad-plot-dos_relative` Arguments
was causing problems with overlapping colours. It is fixed.

0.7.5
-----
Add :ref:`rad-plot-dos_custom-plots` and :ref:`rad-plot-dos_colours` to the :ref:`rad-plot-dos`. 

0.7.6
-----
Add summing over atom types to the :ref:`rad-plot-dos_custom-plots`. 

0.7.7
-----
Add the option for removing background label to :ref:`rad-plot-dos_custom-plots`. 

0.7.8
-----
Add fontsize options to :ref:`rad-plot-dos_custom-plots`. 

0.7.9
-----
Bugfix in :ref:`rad-plot-dos`. 

0.7.10
------
Changes in :ref:`rad-make-template`. Now bonds are grouped by distances by default.

0.7.11
------
Bugfix in :py:func:`.print_2d_array`. Refractor the whole module. Extend documentation.
Add ``shift`` and ``borders`` options to :py:func:`.print_2d_array`.
Bugfix in ``dos.py``.

0.7.12
------

First version of magnons module, Add :ref:`rad-plot-tb2j-magnons` script.

0.7.13
------

Bugfix, some scripts did not work before.

0.7.14
------

Preliminary version of :ref:`rad-plot-fatbands` script.

0.7.15
------

Bugfix if :ref:`rad-plot-dos` script. With custom plotting.