Wheelodex » Projects » uf3 » uf3-0.4.0-py3-none-any.whl

uf3

View on PyPI — Reverse Dependencies (0)

0.4.0 uf3-0.4.0-py3-none-any.whl

Wheel Details

Project: uf3
Version: 0.4.0
Filename: uf3-0.4.0-py3-none-any.whl
Download: [link]
Size: 93516
MD5: 6f319794637d5b248502574efd2bb33c
SHA256: 99dd1154b668401198f7e49b1f1464c0d737ffc1a92388bb3a708a354d79f692
Uploaded: 2023-10-27 16:37:16 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: uf3
Version: 0.4.0
Summary: Ultra-Fast Force Fields for molecular dynamics
Author: Stephen R. Xie, Matthias Rupp
Author-Email: sxiexie[at]ufl.edu
Home-Page: https://github.com/uf3/uf3
License: Apache 2.0
Classifier: Programming Language :: Python :: 3.7
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering
Requires-Dist: ase
Requires-Dist: matplotlib
Requires-Dist: ndsplines
Requires-Dist: numba
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: plotly
Requires-Dist: PyYAML
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: tables
Requires-Dist: tqdm
Requires-Dist: elastic; extra == "elastic-constants"
Requires-Dist: phonopy (>=2.6.0); extra == "phonon-spectra"
Requires-Dist: seekpath; extra == "phonon-spectra"
Requires-Dist: spglib; extra == "phonon-spectra"
Provides-Extra: elastic_constants
Provides-Extra: phonon_spectra
License-File: LICENSE
[Description omitted; length: 2982 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
uf3/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/data/analyze.py sha256=u7yQ_f37TEhjeLUemOBbKWN3D7FumnymIl2McWHy7UQ 13558
uf3/data/composition.py sha256=qmcCa6Gt6RDCGXXzhEmOuJx5Q0LwS-SMwKGi8XoiFX8 13581
uf3/data/geometry.py sha256=0MU0_RNq6WYixIwmD0vSF96WXQzJR7jEBDBy_5wuxs0 7414
uf3/data/io.py sha256=fUxpacvMgT7wi7Mlf7h7zsN4Z__rrQKTpcRnbqYDiTA 42298
uf3/forcefield/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/forcefield/calculator.py sha256=HYsmkPMTnRbbWm_9hj6cSAo3feSEuYwBvewuzC8VoTE 23157
uf3/forcefield/lammps.py sha256=epbb0wGTe_KOlzGUQjBe-ptJVU-bcJYebEFaedRf-4Y 10504
uf3/forcefield/properties/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/forcefield/properties/elastic.py sha256=YQi7XgsUMfgyB5vkGrAjmh6JQkowbNrFX7uGl7z4glA 1230
uf3/forcefield/properties/phonon.py sha256=ZcQTuLVdlvvtoINsGRO5Mp2gN4EWGHmGa_PSP8aRMBA 5972
uf3/regression/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/regression/least_squares.py sha256=s8y8MunsqhWCg1lJqZqQWoPKsQTNSkLj9Uh3lHterJ8 44016
uf3/regression/regularize.py sha256=4N1sAFMHXupnk51-3z7b4hMclUwgAMzaPsXktoDZFPE 8157
uf3/representation/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/representation/angles.py sha256=PHwLe1TNKepCZz3l_1AjMWW9dpZuMgq7R6K8UraeXAE 30145
uf3/representation/bspline.py sha256=X5qx0TSxqDJVesGd0zi4pFCrZB4YFT5iD5dDY_j5XAI 41223
uf3/representation/distances.py sha256=qXvvAyx7NIKSYrteX7XFuROwWyZTwSKBKj_idZpu-s4 18320
uf3/representation/process.py sha256=E8SzuJGzOP7vewgGOLig2l8Xc8UYpP2d3CXHAxguI1M 25162
uf3/util/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
uf3/util/cubehelix.py sha256=lNSYQKbR1jT_igFxr19CQFzd-1U5AoRifRkjyT-r-tg 9348
uf3/util/json_io.py sha256=T3ByNFCRAXozqoAf3Q0EDjGJ89ysCgh91FyB51aCmmA 5749
uf3/util/parallel.py sha256=8hox8Cs9kFTLE1pQSMjwRHh24QWO_w2wyeHoD3dYhE4 7683
uf3/util/plot_slices_3b.py sha256=U1gFCjLDjbBoJ00PPnb6z_bu_nULxXtk7DCOtxS7SIg 13328
uf3/util/plotting.py sha256=dkQPIZ1kIzzEIARPrxdK2HFe1Cv6ScS9IFbNE52BtHc 12867
uf3/util/plotting3d.py sha256=VsctTzT0sKFihTcWbOSsT0XfoU7Paikq1VcTt1XndLs 7998
uf3/util/subsample.py sha256=gzikIXCUd7Kswhcbc4QsnaMyVwyOy_-p9Jq2xU4f7bI 1215
uf3/util/user_config.py sha256=UFrlRu1ghsDXd9n6b5YdXtdZ_7n3tVc1Uxjx1vVJWmM 4783
uf3-0.4.0.dist-info/LICENSE sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ 11357
uf3-0.4.0.dist-info/METADATA sha256=MxOkkCLo2xlSCWniiIHTScwZPJ4QLaU-iXuzICWrnJM 4018
uf3-0.4.0.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
uf3-0.4.0.dist-info/top_level.txt sha256=GWi4oiwOyMhQotCO-OH6ZtIbPmfwmQsm1vkhj1jQUso 4
uf3-0.4.0.dist-info/RECORD — —

top_level.txt

uf3