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ffonons

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0.1.0 ffonons-0.1.0-py2.py3-none-any.whl

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Project: ffonons
Version: 0.1.0
Filename: ffonons-0.1.0-py2.py3-none-any.whl
Download: [link]
Size: 29055
MD5: b22bffecfc42bbbc009f5e48451ddc6e
SHA256: 5714fac7f4ad012192d96698d6fb316f960c02f9fbd0e1a3bfb8e93324c82f08
Uploaded: 2024-01-10 11:39:59 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: ffonons
Version: 0.1.0
Summary: A Python package for benchmarking phonon predictions from ML force fields
Author-Email: Janosh Riebesell <janosh.riebesell[at]gmail.com>
Project-Url: Homepage, https://janosh.github.io/ffonons
Project-Url: Repo, https://github.com/janosh/ffonons
Project-Url: Package, https://pypi.org/project/ffonons
Keywords: chemistry,force-fields,interatomic-potentials,machine-learning,materials-science,phonons,physics
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.11
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: pandas (>=2.0.0)
Requires-Dist: plotly
Requires-Dist: pymatgen
Requires-Dist: pymatviz[export-figs]
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: tqdm
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: test
Description-Content-Type: text/markdown
[Description omitted; length: 799 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
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ffonons/io.py sha256=SPJXb-rADqXe_7BmVObbgehyvviZgFZBD1n932WQaQs 5804
ffonons/plots.py sha256=VjyWHw8FxYBi-0wrcczei1NTxPtCxPl31n7-K4GP76c 4707
ffonons/run_phonon_maker.py sha256=XSg7kOjV7wNGXNrJQE-j2n_Rfz9EPRIDiwDsIM2N9p0 6751
ffonons/analysis/__init__.py sha256=SrAcPrc7vRUw1nNDEe5x0VxbDmzB390mtreaF0rXdPo 63
ffonons/analysis/band_width.py sha256=wBVTGR-5W7rtczMqVSxnazUTDOgcVv12S3xsu-ckfhA 6278
ffonons/analysis/check_phonondb_vasp_converged.py sha256=MyPiVFY5xSXx0G9HhC8D0hD2IqkVGtH7SDRNovR0bnA 11656
ffonons/analysis/dos_mae.py sha256=aOigBwcUMVWHKP969lwfadNNCu1b3eB-HqbK12fm70g 1502
ffonons/analysis/imaginary_modes.py sha256=j9bH8NTnTukfQ63ogu5NElZUc2CCepskQZFLFZ7iPl8 5672
ffonons/analysis/plot_dos_bs.py sha256=wxpXg8lFayMaHPeeLUrUlbPlHjQdsuqEVlk6rncTRIY 4753
ffonons/dbs/__init__.py sha256=U1AugZT2Mr9zF1z_4EgUjCH1Cqy4h3cjh2rnf-jF5fs 82
ffonons/dbs/fetch_phonondb_docs.py sha256=F_BJPF7i-y1zxm1MpA8XeEUlbwWxrIOkqCKtHPTttRc 2258
ffonons/dbs/mp.py sha256=0PSPZmWGXfcl7rRzOO_LwGLLNseVfNiEb5hpU3pYA5Y 1989
ffonons/dbs/phonondb.py sha256=MT4ko2cYZTYXJ0CsTBup3dJXaGP-18h2I6SSFekUaBk 15793
ffonons-0.1.0.dist-info/METADATA sha256=WW2xMEu4J6qTZsc_eEIebdnhSqS8by1VYCWJnmBhk0Y 2048
ffonons-0.1.0.dist-info/WHEEL sha256=-G_t0oGuE7UD0DrSpVZnq1hHMBV9DD2XkS5v7XpmTnk 110
ffonons-0.1.0.dist-info/top_level.txt sha256=S0-bFBnG47AYYDU933CcxMR6K0RtnjjHBANCdqPIoUY 8
ffonons-0.1.0.dist-info/RECORD — —

top_level.txt

ffonons