.. _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: ``guide_crystal``.



Add ``print_2d_array``.

Rename ``read_exchange_model`` to ``load_tb2j_model``.

Major design change in the ``spinham``:

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

0.7.1
-----

Write correct behaviour of ``SpinHamiltonian`` with the ``SpinHamiltonian.double_counting``:

.. code-block:: python

    >>> import radtools as rad
    >>> m = rad.SpinHamiltonian()
    >>> m.add_atom("Cr", position=(0, 0, 0), spin=3/2)
    >>> m.add_bond("Cr", "Cr", (1, 0, 0), iso=1)
    >>> # 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 ``Crystal``:

.. code-block:: python

    >>> 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 ``api_crystal``.

0.7.3
-----

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

0.7.4
-----

Bugfix in the ``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 ``rad-plot-dos_custom-plots`` and ``rad-plot-dos_colours`` to the ``rad-plot-dos``.

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

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

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

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

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

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

0.7.12
------

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

0.7.13
------

Bugfix, some scripts did not work before.

0.7.14
------

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

0.7.15
------

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