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dftbplus-step

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Project: dftbplus-step
Version: 2025.3.3
Filename: dftbplus_step-2025.3.3-py2.py3-none-any.whl
Download: [link]
Size: 163856
MD5: 6bdb6eeff83985b8b3bfdac08ce162c6
SHA256: 71163034fa38d2a0a5b0f3e83cb64ca9299f72190fd3f48b5449a53be5537f29
Uploaded: 2025-03-03 20:37:41 +0000

dist-info

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

METADATA

Metadata-Version: 2.2
Name: dftbplus_step
Version: 2025.3.3
Summary: A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.
Author: Paul Saxe
Author-Email: psaxe[at]molssi.org
Home-Page: https://github.com/molssi-seamm/dftbplus_step
License: BSD-3-Clause
Keywords: SEAMM,plug-in,flowchart,quantum,simulation,atomistic,DFTB+,DFTBplus,tight-binding,DFT
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: cms_plots
Requires-Dist: hsd
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: seamm
Requires-Dist: seamm-exec
Requires-Dist: seamm_util
Requires-Dist: tabulate
Description-Content-Type: text/x-rst
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: keywords
Dynamic: license
Dynamic: platform
Dynamic: requires-dist
Dynamic: summary
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 11156 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.8.2)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

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dftbplus_step-2025.3.3.dist-info/RECORD — —

top_level.txt

dftbplus_step

entry_points.txt

[console_scripts]
dftbplus-step-installer = dftbplus_step.__main__:run
[org.molssi.seamm]
DFTB+ = dftbplus_step:DftbplusStep
[org.molssi.seamm.dftbplus]
BandStructure = dftbplus_step:BandStructureStep
ChooseParameters = dftbplus_step:ChooseParametersStep
DOS = dftbplus_step:DOSStep
Energy = dftbplus_step:EnergyStep
Optimization = dftbplus_step:OptimizationStep
[org.molssi.seamm.dftbplus.tk]
BandStructure = dftbplus_step:BandStructureStep
ChooseParameters = dftbplus_step:ChooseParametersStep
DOS = dftbplus_step:DOSStep
Energy = dftbplus_step:EnergyStep
Optimization = dftbplus_step:OptimizationStep
[org.molssi.seamm.tk]
DFTB+ = dftbplus_step:DftbplusStep

zip-safe