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aiida-kkr

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2.1.0 aiida_kkr-2.1.0-py2.py3-none-any.whl

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Project: aiida-kkr
Version: 2.1.0
Filename: aiida_kkr-2.1.0-py2.py3-none-any.whl
Download: [link]
Size: 275826
MD5: cbdfa1137a5672b9f88e6a2d539da89c
SHA256: f2bbe1bfcd7ebab396d63b10eaaacf9f66f05dc29b61c57e4f5e75e13d78d25d
Uploaded: 2023-11-13 12:37:34 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-kkr
Version: 2.1.0
Summary: AiiDA plugin for the JuKKR codes
Author-Email: Philipp Ruessmann <p.ruessmann[at]fz-juelich.de>, Jens Broeder <j.broeder[at]fz-juelich.de>, Fabian Bertoldo <f.bertoldo[at]fz-juelich.de>
Project-Url: Documentation, https://aiida-kkr.readthedocs.io
Project-Url: Download, https://github.com/JuDFTteam/aiida-kkr
Project-Url: Homepage, https://github.com/JuDFTteam/aiida-kkr
Keywords: material science,aiida,dft,all-electron,kkr
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Natural Language :: English
Classifier: Framework :: AiiDA
Requires-Dist: aiida-core (<3.0.0,>=2.0.0)
Requires-Dist: masci-tools (<1.0.0,>=0.4.8.dev5)
Requires-Dist: seekpath (>=1.9.2)
Requires-Dist: ase
Requires-Dist: pymatgen
Requires-Dist: bump2version (>=0.5.10); extra == "devtools"
Requires-Dist: Sphinx (>=1.8.2); extra == "docs"
Requires-Dist: sphinx_rtd_theme (>=0.4.2); extra == "docs"
Requires-Dist: pre-commit (==3.5.0); extra == "pre-commit"
Requires-Dist: yapf (==0.33.0); extra == "pre-commit"
Requires-Dist: pylint (==1.9.4); extra == "pre-commit" and python_version < "3.0"
Requires-Dist: pylint (==3.0.2); extra == "pre-commit" and python_version >= "3.0"
Requires-Dist: pgtest (>=1.3.0); extra == "testing"
Requires-Dist: pytest-xdist; extra == "testing"
Requires-Dist: pytest-cov (>=2.5.0); extra == "testing"
Requires-Dist: pytest-mpl (>=0.10); extra == "testing"
Requires-Dist: pytest-timeout (>=1.3.3); extra == "testing"
Requires-Dist: pytest-regressions (>=1.0); extra == "testing"
Requires-Dist: MarkupSafe (<2.2.0); extra == "testing"
Requires-Dist: ase_notebook; extra == "widgets"
Provides-Extra: devtools
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Provides-Extra: widgets
Description-Content-Type: text/markdown
[Description omitted; length: 5872 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

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aiida_kkr-2.1.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
kkr.kkr = aiida_kkr.calculations.kkr:KkrCalculation
kkr.kkrimp = aiida_kkr.calculations.kkrimp:KkrimpCalculation
kkr.kkrimporter = aiida_kkr.calculations.kkrimporter:KkrImporterCalculation
kkr.kkrnano = aiida_kkr.calculations.kkrnano:KKRnanoCalculation
kkr.voro = aiida_kkr.calculations.voro:VoronoiCalculation
[aiida.data]
kkr.strucwithpot = aiida_kkr.data.strucwithpot:StrucWithPotData
[aiida.parsers]
kkr.kkrimporterparser = aiida_kkr.parsers.kkrimporter:KkrImporterParser
kkr.kkrimpparser = aiida_kkr.parsers.kkrimp:KkrimpParser
kkr.kkrnanoparser = aiida_kkr.parsers.kkrnano:KKRnanoParser
kkr.kkrparser = aiida_kkr.parsers.kkr:KkrParser
kkr.voroparser = aiida_kkr.parsers.voro:VoronoiParser
[aiida.workflows]
kkr.bs = aiida_kkr.workflows.bs:kkr_bs_wc
kkr.decimation = aiida_kkr.workflows._decimation:kkr_decimation_wc
kkr.dos = aiida_kkr.workflows.dos:kkr_dos_wc
kkr.eos = aiida_kkr.workflows.eos:kkr_eos_wc
kkr.gf_writeout = aiida_kkr.workflows.gf_writeout:kkr_flex_wc
kkr.imp = aiida_kkr.workflows.kkr_imp:kkr_imp_wc
kkr.imp_BdG = aiida_kkr.workflows.imp_BdG:kkrimp_BdG_wc
kkr.imp_dos = aiida_kkr.workflows.kkr_imp_dos:kkr_imp_dos_wc
kkr.imp_sub = aiida_kkr.workflows.kkr_imp_sub:kkr_imp_sub_wc
kkr.jij = aiida_kkr.workflows.jijs:kkr_jij_wc
kkr.scf = aiida_kkr.workflows.kkr_scf:kkr_scf_wc
kkr.startpot = aiida_kkr.workflows.voro_start:kkr_startpot_wc
[console_scripts]
aiida-kkr = aiida_kkr.cmdline:cmd_root