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2024.12.7 psi4_step-2024.12.7-py2.py3-none-any.whl

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Project: psi4-step
Version: 2024.12.7
Filename: psi4_step-2024.12.7-py2.py3-none-any.whl
Download: [link]
Size: 80755
MD5: e01fe1d3b099d902475235a8c9600723
SHA256: fc3445aaf96dce7c5f63985599245f7fce2a0b41aa0e509d92a10170e5ea9fb3
Uploaded: 2024-12-07 15:48:00 +0000

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

METADATA

Metadata-Version: 2.1
Name: psi4_step
Version: 2024.12.7
Summary: A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4
Author: Paul Saxe
Author-Email: psaxe[at]molssi.org
Home-Page: https://github.com/molssi-seamm/psi4_step
License: BSD-3-Clause
Keywords: SEAMM,plug-in,flowchart,Psi4,DFT,quantum chemistry,CCSD
Classifier: Development Status :: 5 - Production/Stable
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: numpy
Requires-Dist: scipy
Requires-Dist: seamm
Requires-Dist: tabulate
Description-Content-Type: text/x-rst
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 8117 characters]

WHEEL

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

RECORD

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psi4_step-2024.12.7.dist-info/RECORD — —

top_level.txt

psi4_step

entry_points.txt

[console_scripts]
psi4-step-installer = psi4_step.__main__:run
[org.molssi.seamm]
Psi4 = psi4_step:Psi4Step
[org.molssi.seamm.psi4]
Energy = psi4_step:EnergyStep
Initialization = psi4_step:InitializationStep
Optimization = psi4_step:OptimizationStep
Thermochemistry = psi4_step:ThermochemistryStep
[org.molssi.seamm.psi4.tk]
Energy = psi4_step:EnergyStep
Initialization = psi4_step:InitializationStep
Optimization = psi4_step:OptimizationStep
Thermochemistry = psi4_step:ThermochemistryStep
[org.molssi.seamm.tk]
Psi4 = psi4_step:Psi4Step

zip-safe