Mendeleev

Latest version: v0.16.0

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0.2.5

Not secure
-------------------

Features added
^^^^^^^^^^^^^^

* Added calculation of Martynov and Batsanov scale of electronegativity in
``en_martynov_batsanov`` method in the ``Element`` class
* Added ``abundance_crust`` and ``abundance_sea`` with element abundancies in
the crust and seas
* Added ``molcas_gv_color`` attribute with `MOLCAS GV <http://www.molcas.org/GV/>`_
colors

Bugs fixed
^^^^^^^^^^

* Restored Python 3.x compatibility

0.2.4

Not secure
-------------------

Features added
^^^^^^^^^^^^^^

* Extended and corrected the documentation and Jupyter notebook tutorials on
basic usage electronegativities, plotting and tables

Bugs fixed
^^^^^^^^^^

* Corrected ``raise`` to ``return`` when calling ``en_sanderson`` from
``electronegativity``
* Fixed and tested the formula for calculating the Li and Xue scale of
electronegativity in ``en_lie-xue``

0.2.3

-------------------

Features added
^^^^^^^^^^^^^^

* Added new vdW radii: ``vdw_radius_batsanov``, ``vdw_radius_bondi``,
``vdw_radius_dreiding``, ``vdw_radius_mm3``, ``vdw_radius_rt``,
``vdw_radius_truhlar``, ``vdw_radius_uff``
* Added an option to plot the long (wide) version of the periodic table in
``periodic_plot``

Bugs fixed
^^^^^^^^^^

* Typos in the docstrings

0.2.2

-------------------

Features added
^^^^^^^^^^^^^^

* Added new covalent radii: ``covalent_radius_bragg``,
``covalent_radius_slater``
* Added the ``c6`` dispersion coefficients
* Added ``gas_basicity``, ``proton_affinity`` and ``heat_of_formation``
* Added ``periodic_plot`` function for producing `bokeh <https://bokeh.org/>` based plots of the
periodic table
* Added ``jmol_color`` and ``cpk_color`` with different coloring schemes for
atoms

Bug fixes
^^^^^^^^^

* Changed the series of elements 113, 114, 115, 116 to poor metals

0.2.1

-------------------

Features added
^^^^^^^^^^^^^^

* Extended the list of options for calculating Mulliken electronegativities in
``en_mulliken``
* Added ``electrons_per_shell`` method
* Added a function to calculate linear interpolation of radii required for
calculation of Sandersons electronegativity
* Added hybrid attributes ``electrons``, ``protons``, ``neutrons`` and
``mass_number``

Bug fixes
^^^^^^^^^

* Changed the type of the ``melting_point`` from ``str`` to ``float``

0.2.0

-------------------

Features added
^^^^^^^^^^^^^^

* Instead of ``covalent_radius`` added ``covalent_radius_2008`` and
``covalent_radius_2009``
* Instead of ``electronegativity`` added ``en_pauling`` and ``en_mulliken``
* Added a method for getting ionic radii
* Improved the method for calculating the nuclear screening constants
* Added ``ElectronicConfiguration`` class initialized as ``Element`` attribute
* Added nuclear screening constants from Clementi and Raimondi
* Added a method to calculate the absolute softness, absolute hardness and
absolute electronegativity
* Added ``get_table`` method to retrieve the tables as ``pandas``
``DataFrames``

Bug fixes
^^^^^^^^^

* Added missing electronic configurations
* Converted ionic radii from Angstrom to pico meters

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