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energy-scan-step

2024.5.23

energy_scan_step-2024.5.23-py2.py3-none-any.whl

Wheel Details

Project:	energy-scan-step
Version:	2024.5.23
Filename:	energy_scan_step-2024.5.23-py2.py3-none-any.whl
Download:	[link]
Size:	27046
MD5:	`9d05152c206c04b550b5a6ca98e6c581`
SHA256:	`d1d7fb7225d35aab7a89c68953d7eed47a57b69738e233f937dd3f153500032e`
Uploaded:	2024-05-23 18:23:19 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe

METADATA

Metadata-Version:	2.1
Name:	energy_scan_step
Version:	2024.5.23
Summary:	A SEAMM plug-in for calculating energy profiles along coordinates
Author:	Paul Saxe
Author-Email:	psaxe[at]molssi.org
Home-Page:	https://github.com/molssi-seamm/energy_scan_step
License:	BSD-3-Clause
Keywords:	SEAMM,SEAMMplugin,flowchart
Classifier:	Environment :: Plugins
Classifier:	Development Status :: 2 - Pre-Alpha
Classifier:	Intended Audience :: Science/Research
Classifier:	Topic :: Scientific/Engineering :: Chemistry
Classifier:	Topic :: Scientific/Engineering :: Physics
Classifier:	License :: OSI Approved :: BSD License
Classifier:	Natural Language :: English
Classifier:	Programming Language :: Python :: 3 :: Only
Classifier:	Programming Language :: Python :: 3.8
Classifier:	Programming Language :: Python :: 3.9
Platform:	Linux
Platform:	Mac OS-X
Platform:	Unix
Platform:	Windows
Requires-Dist:	geometric
Requires-Dist:	numpy
Requires-Dist:	rdkit
Requires-Dist:	read-structure-step
Requires-Dist:	seamm
Requires-Dist:	seamm-util
Requires-Dist:	seamm-widgets
Requires-Dist:	tabulate
Description-Content-Type:	text/x-rst
License-File:	LICENSE
License-File:	AUTHORS.rst

[Description omitted; length: 2373 characters]

WHEEL

Wheel-Version:	1.0
Generator:	bdist_wheel (0.43.0)
Root-Is-Purelib:	true
Tag:	py2-none-any
Tag:	py3-none-any

RECORD

Path	Digest	Size
energy_scan_step/__init__.py	sha256=rtqOCJTtxtoAEbkR_6xjw6Kcmp6xM7N8GHCoMFg6Q7w	669
energy_scan_step/_version.py	sha256=CDE76ELkLi5jzgiLgC9lJJb4oIjkoTQfKuXCgSnCM5Y	501
energy_scan_step/energy_scan.py	sha256=I5veTV63zhUmOvrgllVRmLqy3pWsR1G6pPY2nLWnibo	48110
energy_scan_step/energy_scan_parameters.py	sha256=H10mjseycGuYCUw7XBRf2I17uClrjWjcRfSscA5B6oE	4978
energy_scan_step/energy_scan_step.py	sha256=s_WHdaHC0TktBEXPWtBVRv2YBzNcnWWiiSwKJrIkDmU	3093
energy_scan_step/metadata.py	sha256=k8nzwpMSppeHRj8dPoavwW9feiShHHIeF-Rqh9QH4WU	4607
energy_scan_step/tk_energy_scan.py	sha256=erARZBcol8rrFardjHbufGo1rAonb1CSF-SwqwMvn2M	23154
energy_scan_step/data/properties.csv	sha256=Ic772bFoNq242bBMTyyz_twI4whYLPGWZ-Jw5g3jfnY	36
energy_scan_step/data/references.bib	sha256=dNcHetNXgG7fo481oCeoXmBbMw77nkS36_e6LdTKXxI	2254
energy_scan_step-2024.5.23.dist-info/AUTHORS.rst	sha256=HKy1QAUcENUPZZIAeLClJTLLQ0m438MWROo7bvLs41Q	126
energy_scan_step-2024.5.23.dist-info/LICENSE	sha256=_a2VoWFTTLl7ku0UwM1GDNXQbhxS7iUoa3bdpJInJtg	1519
energy_scan_step-2024.5.23.dist-info/METADATA	sha256=opZ4hjZNAHtm8C-OKDz1qIWPz9qC5GTlzCLx_15gB78	3529
energy_scan_step-2024.5.23.dist-info/WHEEL	sha256=DZajD4pwLWue70CAfc7YaxT1wLUciNBvN_TTcvXpltE	110
energy_scan_step-2024.5.23.dist-info/entry_points.txt	sha256=sGwp1ixQgs8BP1IEs7i9LYArNdl5h6n1B9PNzHegLEs	134
energy_scan_step-2024.5.23.dist-info/top_level.txt	sha256=tv0liFNxQ65SMIZpnRZgGYmeY-QhOqi-iyo26I2lSLw	17
energy_scan_step-2024.5.23.dist-info/zip-safe	sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs	1
energy_scan_step-2024.5.23.dist-info/RECORD	—	—

top_level.txt

energy_scan_step

entry_points.txt

[org.molssi.seamm]

Energy Scan = energy_scan_step:EnergyScanStep

[org.molssi.seamm.tk]

Energy Scan = energy_scan_step:EnergyScanStep