xespresso

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1.5.5 xespresso-1.5.5-py3-none-any.whl

Wheel Details

Project: xespresso
Version: 1.5.5
Filename: xespresso-1.5.5-py3-none-any.whl
Download: [link]
Size: 85265
MD5: eec1c87ae0f2a52548a477d7443fc3b0
SHA256: 574ab09e67f739499cb88a76155ebdf457c2c26b6ca69207d28d4a60351f0b61
Uploaded: 2023-07-15 12:39:07 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: xespresso
Version: 1.5.5
Summary: Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
Author: Xing Wang
Author-Email: xingwang1991[at]gmail.com
Home-Page: https://github.com/superstar54/xespresso
License: GPL
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3.5
Requires-Python: >=3.5
Requires-Dist: ase
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 5693 characters]

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top_level.txt

xespresso