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chemtools

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0.9.2 chemtools-0.9.2-py3-none-any.whl

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Project: chemtools
Version: 0.9.2
Filename: chemtools-0.9.2-py3-none-any.whl
Download: [link]
Size: 88876
MD5: 0008b8712ffab8f2497a1fae485c4934
SHA256: 2b8d71de45b2446eb87ee31a666aee78a55bf03bc8388be39ed27178a5ac1953
Uploaded: 2020-11-25 19:02:19 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: chemtools
Version: 0.9.2
Summary: Python tools for quantum chemical calculations
Author: Lukasz Mentel
Author-Email: lmmentel[at]gmail.com
Home-Page: https://github.com/lmmentel/chemtools/
License: MIT
Keywords: basis set,optimization,quantum chemistry,molecular physics
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: sqlalchemy
Requires-Dist: scipy (>=0.11)
Requires-Dist: numpy (>=1.7)
Requires-Dist: mendeleev
Requires-Dist: numba
Requires-Dist: pandas
Description-Content-Type: text/x-rst
[Description omitted; length: 3990 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.35.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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chemtools/calculators/psi4.py sha256=7X7B8XscxqgJ5gc1iTbBp4iw__6orHxpjlNEd3tLdBY 5161
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chemtools/pescan/model.py sha256=3pKcnh_IKsgiyXHXMZttg1XRtrl7wPRvx4yiD7U5Zos 10489
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chemtools-0.9.2.dist-info/LICENSE.rst sha256=0NIou7GGNs6LDE-UWkYAV751lrZnh8jvBONB5ttPTgM 1080
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chemtools-0.9.2.dist-info/RECORD — —

top_level.txt

chemtools
chemtools/calculators
chemtools/pescan

entry_points.txt

[console_scripts]
bsconvert = chemtools.cli:bsconvert
bsprint = chemtools.cli:bsprint
writeorbinp = chemtools.calculators.gamessus:writeorbinp