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Bump changelog and version number for release
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kavanase committed Jun 11, 2024
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8 changes: 8 additions & 0 deletions CHANGELOG.rst
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Change Log
==========

v.2.4.6
----------
- Update ``Defect``, ``DefectEntry`` and ``DefectThermodynamics`` properties/methods to be even more
efficient with calculations of formation energies and concentrations. Gives ~10x speedup in Fermi
solving and concentration calculations (e.g. from 2 hours to 12 minutes for 2D chempot vs temp CdTe grid
in thermodynamics tutorial).
- Avoid unnecessary ``DeprecationWarning``s from latest ``spglib`` release.

v.2.4.5
----------
- Enforce ``shakenbreak>=2.3.4`` requirement.
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2 changes: 1 addition & 1 deletion docs/conf.py
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author = 'Seán R. Kavanagh'

# The full version, including alpha/beta/rc tags
release = '2.4.5'
release = '2.4.6'


# -- General configuration ---------------------------------------------------
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2 changes: 1 addition & 1 deletion pyproject.toml
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[project]
name = "doped"
version = "2.4.5"
version = "2.4.6"
description = "Python package to setup, process and analyse solid-state defect calculations with VASP"
authors = [{name = "Seán Kavanagh", email = "[email protected]"}]
readme = "README.md"
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