mmelemental

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0.1.1 mmelemental-0.1.1-py3-none-any.whl

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Project: mmelemental
Version: 0.1.1
Filename: mmelemental-0.1.1-py3-none-any.whl
Download: [link]
Size: 75676
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Uploaded: 2022-01-06 21:13:26 +0000

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METADATA

Metadata-Version: 2.1
Name: mmelemental
Version: 0.1.1
Author: MolSSI
Author-Email: support[at]molssi.edu
License: BSD-3-Clause
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: >=3.9
Requires-Dist: pint
Requires-Dist: cmselemental
Description-Content-Type: text/markdown
[Description omitted; length: 1084 characters]

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