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Minor update.
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shyuep committed Jan 24, 2022
1 parent 8808f71 commit d3b37eb
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Showing 5 changed files with 9 additions and 11 deletions.
4 changes: 4 additions & 0 deletions docs_rst/change_log.rst
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Change log
==========

v2022.1.24
----------
* Misc bug fixes, e.g., handling of yaml files and type check for MAGMOM flag.

v2022.1.20
----------
* Unicode fixes (@janosh)
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10 changes: 2 additions & 8 deletions docs_rst/latest_changes.rst
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Change log
==========

v2022.1.20
v2022.1.24
----------
* Unicode fixes (@janosh)
* YAML deprecation fixes. (@janosh)
* ASE adaptor support for charge, spin multiiciplity and site properties of molecules. (@arosen93).
* New keyword option (`keep_site_properties`) in various `structure.symmetry.analyzer` functions to keep the site properties on the sites after a transformation. (@arosen93)
* Bug fixes for Lobster module (@JaGeo).
* SCAN / GGA(+U) mixing scheme (@rkingsbury). Mixing scheme code lives in the new file `mixing_scheme.py` and is implemented as a `Compatibility` class.
* Fix for parsing of QuantumExpresso files due to new format (@vorwerkc)
* Misc bug fixes, e.g., handling of yaml files and type check for MAGMOM flag.
2 changes: 1 addition & 1 deletion pymatgen/core/__init__.py
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__email__ = "[email protected]"
__maintainer__ = "Shyue Ping Ong"
__maintainer_email__ = "[email protected]"
__version__ = "2022.1.20"
__version__ = "2022.1.24"

yaml = YAML()
SETTINGS_FILE = os.path.join(os.path.expanduser("~"), ".pmgrc.yaml")
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2 changes: 1 addition & 1 deletion requirements-dev.txt
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sphinx
doc2dash==2.4.0
doc2dash==2.4.1
sphinx_rtd_theme==1.0.0
pytest==6.2.5
pytest-cov==3.0.0
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2 changes: 1 addition & 1 deletion setup.py
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include=["pymatgen.*", "pymatgen.analysis.*", "pymatgen.io.*", "pymatgen.ext.*"],
exclude=["pymatgen.*.tests", "pymatgen.*.*.tests", "pymatgen.*.*.*.tests"],
),
version="2022.1.20",
version="2022.1.24",
python_requires=">=3.8",
install_requires=[
"numpy>=1.20.1",
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