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gaussian-step

2024.10.15

gaussian_step-2024.10.15-py2.py3-none-any.whl

Wheel Details

Project:	gaussian-step
Version:	2024.10.15
Filename:	gaussian_step-2024.10.15-py2.py3-none-any.whl
Download:	[link]
Size:	51766
MD5:	`1f439b7b41ea54d2b9015475c1a7c21b`
SHA256:	`dabe23e8bcf57f4c6bde062fadb38a74378045147a01848e1f5a727927b5126c`
Uploaded:	2024-10-15 21:02:59 +0000

dist-info

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

METADATA

Metadata-Version:	2.1
Name:	gaussian_step
Version:	2024.10.15
Summary:	A SEAMM plugin for A SEAMM plug-in for Gaussian
Author:	Paul Saxe
Author-Email:	psaxe[at]vt.edu
Home-Page:	https://github.com/molssi-seamm/gaussian_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:	cclib
Requires-Dist:	seamm
Requires-Dist:	seamm-exec
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: 6250 characters]

WHEEL

Wheel-Version:	1.0
Generator:	setuptools (75.1.0)
Root-Is-Purelib:	true
Tag:	py2-none-any
Tag:	py3-none-any

RECORD

Path	Digest	Size
gaussian_step/__init__.py	sha256=4Ufc47lfkhpJyngkdoeo2gRrwbU1LSs0B3x7c8dQr-A	1301
gaussian_step/_version.py	sha256=AdlbtagNOBiChlApvj8fhpvKdQioqS-A_z38lpXPx2E	502
gaussian_step/energy.py	sha256=a3NSy39mrBrIB6MdZJs0DkJ1yyHIMk8XOtf1wCfnIGo	31099
gaussian_step/energy_parameters.py	sha256=mJXxLX6NtFsuvIQlow8RwyTKW_XVI-Rfcdduh_i06p0	11610
gaussian_step/energy_step.py	sha256=vtx0Tczfxw95tyZCB3yHzpq-UtcGnvDWudMX03KFNZM	949
gaussian_step/gaussian.py	sha256=7GFI80LsPmCgHpvZj6kpZYqIbYqO_OhA2ym0wCd77jQ	11018
gaussian_step/gaussian_parameters.py	sha256=lqg-f2mOR5GQ8OL7zk5NOmUP8o4HiunuxxlGmQ1N_HE	3769
gaussian_step/gaussian_step.py	sha256=ePiCWO0aAX7T-z8_Ry0jOP_QHWcdFPkLBzD5Q6QaTMI	2929
gaussian_step/metadata.py	sha256=NRmP8lb8czcFaGuJEfPeFjr-PskHuMjB8IGpReqDr3o	43730
gaussian_step/optimization.py	sha256=9wSsKMv_GysuCl34x0OcK9NvqRCGUm5gHWoRHSJKQpM	11687
gaussian_step/optimization_parameters.py	sha256=pG-f20SK2SdB-1AaXP3R6HU80u-G-FqHPptPfqN0Uqc	4375
gaussian_step/optimization_step.py	sha256=TSKPPnMlW9xAkEw3y1LYnYsB-Hw4LgnzsNdN1BW8yes	990
gaussian_step/substep.py	sha256=GBRIos8LE25ye_ZJ8W6zVjvPGcuFfogeYLw_OWkEX7s	44302
gaussian_step/tk_energy.py	sha256=NnBNI76DDMzOGf2vcxYd6lI4HOxb17ElEjxrzJIRSWA	12350
gaussian_step/tk_gaussian.py	sha256=ZQEYjkQaKc6wyGxdiGX36YuIibPpV3EnLzwaw82U0xg	6724
gaussian_step/tk_optimization.py	sha256=BMRsXHtvEUd2a519lAarWCav6n05JVm1GWYm1YYOCj8	4877
gaussian_step/data/gaussian.ini	sha256=U56inGcksHFncb9jHtEd-Dbzv9C1b5ad_pq4i9cyCc8	2566
gaussian_step/data/properties.csv	sha256=DexBJ_9j-vULJaQJQmplyUCEEeNRc34n_MVh3Sni2WE	127
gaussian_step/data/references.bib	sha256=4ygYZlGa27LrikmfH9WS_SiDcWsduAhKO49lTywF1-o	4827
gaussian_step-2024.10.15.dist-info/AUTHORS.rst	sha256=8w2PLQsndtT2-pWCCd_kbeuPCtBikkHZRXCbtXeEKws	122
gaussian_step-2024.10.15.dist-info/LICENSE	sha256=rqT5rYaXVBcrsorOT61AaE8Aj3-gGnqf5vHslZSk9EE	1519
gaussian_step-2024.10.15.dist-info/METADATA	sha256=bToLbZdP9ERxH3PKTArJUpg-h0A9aR7e1VDeG7JXSHw	7324
gaussian_step-2024.10.15.dist-info/WHEEL	sha256=AHX6tWk3qWuce7vKLrj7lnulVHEdWoltgauo8bgCXgU	109
gaussian_step-2024.10.15.dist-info/entry_points.txt	sha256=py3DRLqPon6fEvcRmxqsWjfUNGq-xHbfQ46oiGOEPfM	339
gaussian_step-2024.10.15.dist-info/top_level.txt	sha256=NWk1oCXrv6m9NtFlin8hrcfnw9Vz0o9vNa1sLsh-VrA	14
gaussian_step-2024.10.15.dist-info/zip-safe	sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs	1
gaussian_step-2024.10.15.dist-info/RECORD	—	—

top_level.txt

gaussian_step

entry_points.txt

[org.molssi.seamm]

Gaussian = gaussian_step:GaussianStep

[org.molssi.seamm.gaussian]

Energy = gaussian_step:EnergyStep

Optimization = gaussian_step:OptimizationStep

[org.molssi.seamm.gaussian.tk]

Energy = gaussian_step:EnergyStep

Optimization = gaussian_step:OptimizationStep

[org.molssi.seamm.tk]

Gaussian = gaussian_step:GaussianStep