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reaction-path-step

2024.12.14

reaction_path_step-2024.12.14-py2.py3-none-any.whl

Wheel Details

Project:	reaction-path-step
Version:	2024.12.14
Filename:	reaction_path_step-2024.12.14-py2.py3-none-any.whl
Download:	[link]
Size:	28825
MD5:	`20e80c3ee87a5da68659b9dec41191eb`
SHA256:	`2acee1219b3a90be17a00e86bdfe19e4d7d6c0eda4ecd60ac905a30f1953cc06`
Uploaded:	2024-12-15 00:51:48 +0000

dist-info

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

METADATA

Metadata-Version:	2.1
Name:	reaction_path_step
Version:	2024.12.14
Summary:	A SEAMM plugin for finding transition states and reaction paths
Author:	Paul Saxe
Author-Email:	psaxe[at]molssi.org
Home-Page:	https://github.com/molssi-seamm/reaction_path_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:	ase
Requires-Dist:	molsystem
Requires-Dist:	numpy
Requires-Dist:	read-structure-step
Requires-Dist:	seamm
Requires-Dist:	seamm-ase
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: 2376 characters]

WHEEL

Wheel-Version:	1.0
Generator:	setuptools (75.6.0)
Root-Is-Purelib:	true
Tag:	py2-none-any
Tag:	py3-none-any

RECORD

Path	Digest	Size
reaction_path_step/__init__.py	sha256=sL4KW5oEGQ-bhbRh0X1rxyk6Cz_gLBVn2eRAopEiWLs	781
reaction_path_step/_version.py	sha256=XGo2PYOrE8cm3zQRJPDQIyX1_4aiFVjsiCOFd8mn9M4	502
reaction_path_step/metadata.py	sha256=1PmY8p-VEVnTX0qtKMYGzR143fMK1VK1WE5eMWhFmmQ	4782
reaction_path_step/reaction_path.py	sha256=IcYdH9aFLPXFJvjjnZm_d5qIjjlI6IODwPPbluU_BHM	62891
reaction_path_step/reaction_path_parameters.py	sha256=3t0iONSL0tDkzdlPnKxoFUSLzZJDKF1JKuhJLrybJpw	11901
reaction_path_step/reaction_path_step.py	sha256=AN7Wrk4oEnzcYEez2TQjdlxE2uMF5XT0uTO7-BzwaAU	3145
reaction_path_step/tk_reaction_path.py	sha256=9C0t4eS9NzTMMV8aDtQpfzVBi_U73o6EVmEtL49HqrU	10328
reaction_path_step/data/properties.csv	sha256=Ic772bFoNq242bBMTyyz_twI4whYLPGWZ-Jw5g3jfnY	36
reaction_path_step/data/references.bib	sha256=ESjK97RDwDSbK8obzNJhwSkuhl_GiN3eg53FxBGX8yM	2262
reaction_path_step-2024.12.14.dist-info/AUTHORS.rst	sha256=HKy1QAUcENUPZZIAeLClJTLLQ0m438MWROo7bvLs41Q	126
reaction_path_step-2024.12.14.dist-info/LICENSE	sha256=L_4UconptLzhl7xGiu6YT79RPYan-K8LUHu_aB7sjqI	1568
reaction_path_step-2024.12.14.dist-info/METADATA	sha256=9v30vrB3estVpjVAMOPqAwXDUUnZ-1J3gt_jvC4jk6k	3558
reaction_path_step-2024.12.14.dist-info/WHEEL	sha256=pxeNX5JdtCe58PUSYP9upmc7jdRPgvT0Gm9kb1SHlVw	109
reaction_path_step-2024.12.14.dist-info/entry_points.txt	sha256=9wJGf6uf1I0ARU7xTQkSaHLmNOBoVq6gKzt-p5v-fhw	146
reaction_path_step-2024.12.14.dist-info/top_level.txt	sha256=v3BvJ5d9Ro0C5A0IukXScYJcm5tOpE1j4--uGoCeC6M	19
reaction_path_step-2024.12.14.dist-info/zip-safe	sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs	1
reaction_path_step-2024.12.14.dist-info/RECORD	—	—

top_level.txt

reaction_path_step

entry_points.txt

[org.molssi.seamm]

Reaction Path = reaction_path_step:ReactionPathStep

[org.molssi.seamm.tk]

Reaction Path = reaction_path_step:ReactionPathStep