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Nano-CAT

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0.7.2 Nano_CAT-0.7.2-py3-none-any.whl

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Project: Nano-CAT
Version: 0.7.2
Filename: Nano_CAT-0.7.2-py3-none-any.whl
Download: [link]
Size: 100611
MD5: f2c05e09e7222c86381463541c230282
SHA256: 25d2818d2313f99b774e36b4ae8de5577d42930dab156020c88cdef9c5e19ea7
Uploaded: 2022-09-01 12:21:25 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: Nano-CAT
Version: 0.7.2
Summary: A collection of tools for the analysis of nanocrystals.
Author: ['Bas van Beek']
Author-Email: b.f.van.beek[at]vu.nl
Home-Page: https://github.com/nlesc-nano/nano-CAT
License: GNU Lesser General Public License v3 or later
Keywords: quantum-mechanics,molecular-mechanics,science,chemistry,python-3,python-3-7,python-3-8,python-3-9,python-3-10,automation,scientific-workflows
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Typing :: Typed
Requires-Python: >=3.7
Requires-Dist: Nano-Utils (>=2.3.1)
Requires-Dist: numpy (>=1.15.0)
Requires-Dist: scipy (>=0.19.1)
Requires-Dist: pandas (>=0.24.0)
Requires-Dist: AssertionLib (>=2.3)
Requires-Dist: noodles (>=0.3.3)
Requires-Dist: more-itertools (>=1.0)
Requires-Dist: plams (>=1.5.1)
Requires-Dist: qmflows (>=0.11.1)
Requires-Dist: nlesc-CAT (>=0.11.1)
Requires-Dist: Auto-FOX (>=0.10.0)
Requires-Dist: rdkit-pypi (>=2018.03.1)
Requires-Dist: pyyaml (>=5.1); extra == "test"
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pytest-mock; extra == "test"
Provides-Extra: test
License-File: LICENSE.md
[Description omitted; length: 2055 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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nanoCAT/__version__.py sha256=0eAFjnFVSWI6_301EfFzaXJIiwNScF9GpeINoCLd-XM 22
nanoCAT/cdft.py sha256=yycI6Xhqlv6l2VaRMq5EnomZ6WtZjEVUgqK6F4X95w4 6571
nanoCAT/cone_angle.py sha256=pWLI4t2N7zJ3k2VbZW_-4CorCbqkzASNIK7w2sBSU8g 5187
nanoCAT/ligand_solvation.py sha256=SNrWsQnp_8Uqg_4ntQJfcJO5nFiJ96hrto6z6jn9OBg 15309
nanoCAT/mol_bulk.py sha256=IRMK-bgAvE0wwoJNOHmhH4qzacGVIU7ULwxByfTBlnk 9316
nanoCAT/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
nanoCAT/qd_opt_ff.py sha256=SbqDaHnbjrFz27RVLgXIlYi3c49wLAeDrSryuW_nmk0 9125
nanoCAT/asa/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
nanoCAT/asa/asa.py sha256=we4lgdaaGgTeun7VbwfinpmFRlB6R15x077hFo6eLbM 11368
nanoCAT/asa/asa_frag.py sha256=KqNZadK9kvA0ot2uDE4k9-uEZGorcvv6cS26ITaJsms 2166
nanoCAT/asa/energy_gatherer.py sha256=c-vfj8vcMY0PT4gsHG0KlWa2YCUOasHdXOMs-jMh6Kg 21441
nanoCAT/asa/md_asa.py sha256=xxEHqwJchtAb-4PSZbY-OA8b1MW_rlaD0cB9qg3IOXU 12937
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nanoCAT/bde/identify_surface.py sha256=FujAF8-kYfkUtEyNwOM03Nl-1ckrPoMzNGP1L4UJd9g 6412
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Nano_CAT-0.7.2.dist-info/RECORD — —

top_level.txt

nanoCAT