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chipsff

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2024.11.30 chipsff-2024.11.30-py2.py3-none-any.whl

Wheel Details

Project: chipsff
Version: 2024.11.30
Filename: chipsff-2024.11.30-py2.py3-none-any.whl
Download: [link]
Size: 52095
MD5: eff1dd7bb79aad97e36b2d5b1e25a856
SHA256: 285f5df55b2d66c102fda0df597d8a6263bc5633b0cf3332c5bd68d857b654d2
Uploaded: 2024-12-11 23:09:37 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: chipsff
Version: 2024.11.30
Summary: CHIPSFF: A force field analysis toolkit
Author: Daniel Wines, Kamal Choudhary
Author-Email: daniel.wines[at]nist.gov
Home-Page: https://github.com/usnistgov/chipsff
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Requires-Dist: numpy (>=1.22.0)
Requires-Dist: scipy (>=1.6.3)
Requires-Dist: jarvis-tools (>=2021.07.19)
Requires-Dist: pydantic-settings
Requires-Dist: pandas
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 16672 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.1.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
chipsff/__init__.py sha256=Ue8MzzuTcFSNUgZaeeD1ZsV0J2R7KspSt0JKF7eqrnE 131
chipsff/alignn_ff_db_analyzer.py sha256=0WuI4nlPWeuIpg0dJ4qWhwwYNAAhmZI718_sRT9Siek 9961
chipsff/calcs.py sha256=vhUQr0NhtFYBKb-As55pP-FLwci0cVLIqhmzWb6PNf8 4790
chipsff/config.py sha256=ytsN-3dDX8XavexFzKO5mFqEOOJcUTx_AWUmCzz2Dnc 4918
chipsff/error_metrics.py sha256=0x7VT19MHYgcG4wMEG9OqD45I2l9O8E_ovYUZJEqiEQ 51147
chipsff/general_material_analyzer.py sha256=6WRSpnIIaMp5hHGAsS0YMY02iK1C1TJzcd0brc575Mg 76460
chipsff/mlearn_db_analyzer.py sha256=ByjC9kI9a7R21CVVJ8xSnlBhDVyaQp9yT2rjAklwOXE 11231
chipsff/mptraj_analyzer.py sha256=gvnCKBpAvE3s7HSiPZjbKc-AHKrJhLN4FAqXA4qnV-Q 16150
chipsff/run_chipsff.py sha256=2qaJ2v_rfqZhZG77BYgZ4Kyl_4zUuNd3TmBJ9002bnU 12875
chipsff/scaling_analyzer.py sha256=ilkK1tjWat5UrqbsoPrShX032DGv5c7iUMpLLoDjzWI 3801
chipsff/utils.py sha256=Z77f5a7Xfoc5mdvI05yrTQAM7KVo-TS82pMiKcL-Mqo 6323
chipsff-2024.11.30.dist-info/LICENSE sha256=jPYIneSV2oRvRdcDuBe38_YPA864dq7uyZ05jduGyPU 1103
chipsff-2024.11.30.dist-info/METADATA sha256=oHcONNB4jThPxtOR2lvPYkPSHy1JpDq8RcFrJ0TnxiA 17287
chipsff-2024.11.30.dist-info/WHEEL sha256=XRxW4r1PNiVhMpP4bT9oWtu3HyndxpJ84SkubFgzp_Y 109
chipsff-2024.11.30.dist-info/entry_points.txt sha256=Uwny8tin32hciqRNFvG-sQ7VBd9qnDszov7-UjOlTVo 57
chipsff-2024.11.30.dist-info/top_level.txt sha256=PFkNI4s0mpzZCQkMd2UsIGXpBR1lD0sd89u80s1ZpTc 8
chipsff-2024.11.30.dist-info/RECORD — —

top_level.txt

chipsff

entry_points.txt

[console_scripts]
run_chipsff = chipsff.run_chipsff:main