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Merge branch 'master' into dependabot/bundler/docs/nokogiri-1.16.5
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docs/Gemfile.lock

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docs/_config.yml

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docs/index.md

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docs/installation.md

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docs/pymatgen.md

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examples/README.md

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All examples are housed at [matgenb]. Please consult this resource first.
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If there are questions that cannot be found in the examples, you may use the [pymatgen MatSci forum] or [GitHub discussion].
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[matgenb]: https://matgenb.materialsvirtuallab.org/
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[pymatgen MatSci forum]: https://matsci.org/pymatgen
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[github discussion]: https://github.com/materialsproject/pymatgen/discussions

examples/aims_io/FHI-aims-example.ipynb

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pymatgen/alchemy/materials.py

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import datetime
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import json
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import re
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from typing import TYPE_CHECKING, Any
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from typing import TYPE_CHECKING
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from warnings import warn
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from monty.json import MSONable, jsanitize
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if TYPE_CHECKING:
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from collections.abc import Sequence
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from typing import Any
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from typing_extensions import Self
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from pymatgen.alchemy.filters import AbstractStructureFilter
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class TransformedStructure(MSONable):
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"""Container object for new structures that include history of
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transformations.
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"""Container for new structures that include history of transformations.
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Each transformed structure is made up of a sequence of structures with
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associated transformation history.

pymatgen/alchemy/transmuters.py

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import os
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import re
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from multiprocessing import Pool
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from typing import TYPE_CHECKING, Callable
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from typing import TYPE_CHECKING
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from pymatgen.alchemy.materials import TransformedStructure
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from pymatgen.io.vasp.sets import MPRelaxSet, VaspInputSet
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if TYPE_CHECKING:
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from collections.abc import Sequence
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from typing import Callable
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from typing_extensions import Self
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