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torch-dftd

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0.5.1 torch_dftd-0.5.1-py3-none-any.whl

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Project: torch-dftd
Version: 0.5.1
Filename: torch_dftd-0.5.1-py3-none-any.whl
Download: [link]
Size: 681741
MD5: 21e7fe3d987f921a420c54c1c8c4a989
SHA256: 4ab2333132a3502568106b338988ad5a88fb7328a5c1a0f87eaebc50b7cc337e
Uploaded: 2024-11-22 00:41:32 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: torch-dftd
Version: 0.5.1
Summary: pytorch implementation of dftd2 & dftd3
Requires-Dist: ase (<4.0.0,>=3.18)
Requires-Dist: pymatgen (>=2020.1.28)
Requires-Dist: pysen[lint] (==0.10.5); extra == "develop"
Requires-Dist: ase (==3.21.1); extra == "develop"
Provides-Extra: develop
Description-Content-Type: text/plain
License-File: LICENSE
[Description omitted; length: 40 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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torch_dftd/functions/distance.py sha256=mDXrvZggeQQR1i97v2RFwcyNUgYgT4M3nuZYPlfGrW0 1053
torch_dftd/functions/edge_extraction.py sha256=F4_fZuF4LGBbpbKxQCXWYiC3vrBsiTWHCS7pLyI3nMQ 4080
torch_dftd/functions/smoothing.py sha256=PjO-Ptsqto_msRPd9uX-nN_wylu_-rAOCWMGzwf5JaY 585
torch_dftd/functions/triplets.py sha256=4heB5gws3V7aJnf_5J4f3Jg2YqGt316meVrv3XohUl0 5930
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torch_dftd-0.5.1.dist-info/RECORD — —

top_level.txt

torch_dftd