aiida-fleur

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1.2.1 aiida_fleur-1.2.1-py3-none-any.whl

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Project: aiida-fleur
Version: 1.2.1
Filename: aiida_fleur-1.2.1-py3-none-any.whl
Download: [link]
Size: 268398
MD5: feb230d6e6fec29427b68126986ef5ae
SHA256: 9cf48bd27dbbfe25540958c2c69fa5be8daa99d8499ee1e4f592a3c50f0a98ce
Uploaded: 2021-09-27 12:34:38 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: aiida-fleur
Version: 1.2.1
Summary: Python FLEUR simulation package containing an AiiDA Plugin for running the FLEUR-code and its input generator. Plus some workflows and utility
Author: JuDFTteam
Author-Email: j.broeder[at]fz-juelich.de
Home-Page: https://github.com/JuDFTteam/aiida-fleur
License: MIT License, see LICENSE.txt file.
Keywords: fleur aiida inpgen workflows flapw juelich dft all-electron
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Natural Language :: English
Requires-Python: >=3.6
Requires-Dist: aiida-core[atomic_tools] (<2.0.0,>=1.3.0)
Requires-Dist: lxml (>=3.6.4)
Requires-Dist: numpy (>=1.16.4,~=1.16)
Requires-Dist: sympy
Requires-Dist: masci-tools (>=0.6.2)
Requires-Dist: future
Requires-Dist: pyhull
Requires-Dist: more-itertools
Requires-Dist: sqlalchemy (<1.4)
Requires-Dist: Sphinx; extra == "docs"
Requires-Dist: docutils; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinx-click; extra == "docs"
Requires-Dist: matplotlib; extra == "graphs"
Requires-Dist: pre-commit (>=2.6.0); extra == "pre-commit"
Requires-Dist: yapf (~=0.30); extra == "pre-commit"
Requires-Dist: pylint (>=2.5); extra == "pre-commit"
Requires-Dist: pytest (>=2.9); extra == "testing"
Requires-Dist: pytest-timeout; extra == "testing"
Requires-Dist: pytest-cov (>=2.5.0); extra == "testing"
Requires-Dist: pytest-mpl (>=0.12); extra == "testing"
Requires-Dist: pgtest; extra == "testing"
Requires-Dist: pytest-regressions (>=1.0); extra == "testing"
Provides-Extra: docs
Provides-Extra: graphs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: AUTHORS.txt
[Description omitted; length: 14004 characters]

WHEEL

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Tag: py3-none-any

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top_level.txt

aiida_fleur

entry_points.txt

fleur.fleur = aiida_fleur.calculation.fleur:FleurCalculation
fleur.inpgen = aiida_fleur.calculation.fleurinputgen:FleurinputgenCalculation
fleur.fleurinp = aiida_fleur.data.fleurinp:FleurinpData
fleur.fleurinpmodifier = aiida_fleur.data.fleurinpmodifier:FleurinpModifier
fleur.fleurinpgenparser = aiida_fleur.parsers.fleur_inputgen:Fleur_inputgenParser
fleur.fleurparser = aiida_fleur.parsers.fleur:FleurParser
fleur.banddos = aiida_fleur.workflows.banddos:FleurBandDosWorkChain
fleur.base = aiida_fleur.workflows.base_fleur:FleurBaseWorkChain
fleur.base_relax = aiida_fleur.workflows.base_relax:FleurBaseRelaxWorkChain
fleur.corehole = aiida_fleur.workflows.corehole:FleurCoreholeWorkChain
fleur.create_magnetic = aiida_fleur.workflows.create_magnetic_film:FleurCreateMagneticWorkChain
fleur.dmi = aiida_fleur.workflows.dmi:FleurDMIWorkChain
fleur.dos = aiida_fleur.workflows.dos:fleur_dos_wc
fleur.eos = aiida_fleur.workflows.eos:FleurEosWorkChain
fleur.init_cls = aiida_fleur.workflows.initial_cls:FleurInitialCLSWorkChain
fleur.mae = aiida_fleur.workflows.mae:FleurMaeWorkChain
fleur.mae_conv = aiida_fleur.workflows.mae_conv:FleurMaeConvWorkChain
fleur.orbcontrol = aiida_fleur.workflows.orbcontrol:FleurOrbControlWorkChain
fleur.relax = aiida_fleur.workflows.relax:FleurRelaxWorkChain
fleur.scf = aiida_fleur.workflows.scf:FleurScfWorkChain
fleur.ssdisp = aiida_fleur.workflows.ssdisp:FleurSSDispWorkChain
fleur.ssdisp_conv = aiida_fleur.workflows.ssdisp_conv:FleurSSDispConvWorkChain
fleur.strain = aiida_fleur.workflows.strain:FleurStrainWorkChain
aiida-fleur = aiida_fleur.cmdline:cmd_root