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0.16.1 simmate-0.16.1-py3-none-any.whl

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Project: simmate
Version: 0.16.1
Filename: simmate-0.16.1-py3-none-any.whl
Download: [link]
Size: 880470
MD5: 0ba298898890eddf3e80e5749a301200
SHA256: 01b8e5832bab049a8265c769c4bd1bfa4066c708be9e75cb51db278db4c90992
Uploaded: 2024-01-28 21:39:36 +0000

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METADATA

Metadata-Version: 2.1
Name: simmate
Version: 0.16.1
Summary: Simmate is a toolbox for computational materials research.
Author-Email: "Jack D. Sundberg" <jacksund[at]live.unc.edu>
Project-Url: homepage, https://simmate.org/
Project-Url: repository, https://github.com/jacksund/simmate
Project-Url: documentation, https://jacksund.github.io/simmate/home/
License: BSD 3-Clause License
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python :: 3.11
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Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 151 characters]

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top_level.txt

simmate

entry_points.txt

simmate = simmate.command_line.base_command:simmate_app
simmate-qe = simmate.apps.quantum_espresso.command_line.base_command:qe_app
simmate-vasp = simmate.apps.vasp.command_line.base_command:vasp_app