Wheelodex » Projects » tad-dftd3

tad-dftd3

View on PyPI — Reverse Dependencies (1)

0.4.1 tad_dftd3-0.4.1-py3-none-any.whl

Wheel Details

Project: tad-dftd3
Version: 0.4.1
Filename: tad_dftd3-0.4.1-py3-none-any.whl
Download: [link]
Size: 757096
MD5: d1920830828df3e5fb2c92e0fb64da7b
SHA256: db2a964160de22acc1ee47038da8b45710183c161f52aca85e41e66085ef6aba
Uploaded: 2024-12-09 03:54:14 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: tad_dftd3
Version: 0.4.1
Summary: Torch autodiff DFT-D3 implementation
Author: "Sebastian Ehlert, Marvin Friede"
Project-Url: Documentation, https://tad-dftd3.readthedocs.io/en/latest/
Project-Url: Source Code, https://github.com/dftd3/tad-dftd3
Project-Url: Tracker, https://github.com/dftd3/tad-dftd3/issues
License: Apache-2.0
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Typing :: Typed
Requires-Python: <3.13,>=3.8
Requires-Dist: numpy (<2)
Requires-Dist: tad-mctc
Requires-Dist: torch (<3,>=1.11)
Requires-Dist: black; extra == "dev"
Requires-Dist: covdefaults; extra == "dev"
Requires-Dist: mypy; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: pylint; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pytest-random-order; extra == "dev"
Requires-Dist: pytest-xdist; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: covdefaults; extra == "tox"
Requires-Dist: pytest; extra == "tox"
Requires-Dist: pytest-cov; extra == "tox"
Requires-Dist: pytest-random-order; extra == "tox"
Requires-Dist: pytest-xdist; extra == "tox"
Provides-Extra: dev
Provides-Extra: tox
Description-Content-Type: text/x-rst
License-File: LICENSE
[Description omitted; length: 11410 characters]

WHEEL

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

RECORD

Path Digest Size
tad_dftd3/__init__.py sha256=yPNYcTOQp4bUB_3lfXYB-N6d-QJP5wsb9u5s_WGNBUw 3485
tad_dftd3/__version__.py sha256=JZM2J05eqq5sNbs_td4a36UxLfyBSGkYl3FvbTdW8bM 672
tad_dftd3/defaults.py sha256=6LZurInV9QrMdTwNkmqRmkrHM1iNi4BBlq4_G5P1KfA 1671
tad_dftd3/disp.py sha256=nvQHhgiuEzrvwGepLbf_2JDlZftXbP0vTwXn3CRiYGc 10789
tad_dftd3/exception.py sha256=3MUDnqHy_goYkG1MBbstuLc39pxezqEsV-lN9nKRt60 832
tad_dftd3/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tad_dftd3/reference-c6.pt sha256=gc8PFsVVi1X1Nkey6Q2Yt47v7KQKnvvy_HtLQlST3l8 4240619
tad_dftd3/reference.py sha256=Itsu1DM_hQ8N9A5XbHk-L0T-aRHvHN9kuPgwVxSI0vE 15529
tad_dftd3/damping/__init__.py sha256=KwB1o-vEwjY1-TxuJ3sRipgkRUK0dPI29vzRa5wpPMM 762
tad_dftd3/damping/atm.py sha256=cyMvtEKbWG8VQzexBuzD3cRqVmjPHD3YWppBvzwQRkc 4772
tad_dftd3/damping/rational.py sha256=i-9DxjvYXNUlnYfwmP7Kc4Pf32OmgbIRdvqIn1fcI6g 1990
tad_dftd3/data/__init__.py sha256=9BOy5q66bn2YHWpJFcYM6BzC2YyLNwr5YOrKC7JDqyE 761
tad_dftd3/data/r4r2.py sha256=pjYj34uu0051nxx330z11MPT2Ec9OgrGGQLSieu9-pQ 2464
tad_dftd3/data/radii.py sha256=7jYlXjAy9Fyy8BMdQMkEdEO2SESB-IYSYMz8YMwEepc 1946
tad_dftd3/data/vdw-d3.pt sha256=e1wk8nj94x3ozhQuOhPckCUE1Ayl0BqYbHzBWlNY57M 87275
tad_dftd3/model/__init__.py sha256=pSqQMEZcBPFcCNVZgjnSoLvXhx_FIP9oJkEpcPGYM4s 1707
tad_dftd3/model/c6.py sha256=dwK2GubGeiEoXgJaXIlfhWmIPOUk5l6AFkiTKZdVPlc 13476
tad_dftd3/model/weights.py sha256=UVRxg7iQdF_cMankKEYUNLm-rewK27X4zqf9-ovC8jo 6070
tad_dftd3/ncoord/__init__.py sha256=Sfyjm13xusoIP4xDZDjgPQ1j38m0QAlYnOdJaT6Qv0U 861
tad_dftd3/typing/__init__.py sha256=RMBYrM4NnSGqu0e57kGx3aXikBA0PWCtzlP2h5fCAJ0 756
tad_dftd3/typing/builtin.py sha256=V4LZA8uZXH3hBlN0oXJwFqDDK2CHBhrMotwOTuPwMvU 921
tad_dftd3/typing/d3.py sha256=hShEmKmoQYTLurXlZhnBQgrRVgn2laD13opSlelJ7pQ 822
tad_dftd3/typing/pytorch.py sha256=4tPL6HCpzYKP25Oy5rDLGXnWyIbFMCevsxtTuHRLqRc 1097
tad_dftd3-0.4.1.dist-info/LICENSE sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA 11358
tad_dftd3-0.4.1.dist-info/METADATA sha256=Ccg9hmfQrukIuJT9_JmJNgtMWO6x4Mi4tBC7vEZ_fj0 13493
tad_dftd3-0.4.1.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
tad_dftd3-0.4.1.dist-info/top_level.txt sha256=tipN7i-5mJNIQ0wN5paxCDOE9LXiKRGKC_b_m8k10SE 10
tad_dftd3-0.4.1.dist-info/RECORD — —

top_level.txt

tad_dftd3