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Bump version number and changelog before merge
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kavanase committed Oct 12, 2023
1 parent d1402b3 commit 1083b13
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9 changes: 9 additions & 0 deletions CHANGELOG.rst
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Change Log
==========

v3.2.3
----------
- Ensure the sorted `pymatgen` `Structure` is created for the VASP input (fixes a rare bug in `v3.2.1`
and `v3.2.2` where for certain structures the order of elements in the POSCAR was not properly sorted,
which is usually fine, but messed with the `ROPT` `INCAR` setting).
- Plotting format updates (make legend frame more transparent to make datapoints behind it easier to see).
- Update tests
- Update docs (note about handling AFM systems)

v3.2.2
----------
- Consolidate ``SnB``/``doped`` ``INCAR`` defaults and remove redundant settings.
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2 changes: 1 addition & 1 deletion docs/conf.py
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author = 'Irea Mosquera-Lois, Seán R. Kavanagh'

# The full version, including alpha/beta/rc tags
release = '3.2.2'
release = '3.2.3'


# -- General configuration ---------------------------------------------------
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -130,7 +130,7 @@ def package_files(directory):

setup(
name="shakenbreak",
version="3.2.2",
version="3.2.3",
description="Package to generate and analyse distorted defect structures, in order to "
"identify ground-state and metastable defect configurations.",
long_description=long_description,
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