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4.1.0 aiida_vasp-4.1.0-py3-none-any.whl

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Project: aiida-vasp
Version: 4.1.0
Filename: aiida_vasp-4.1.0-py3-none-any.whl
Download: [link]
Size: 217073
MD5: f922605dbcede4dea87fa2aa5d20b800
SHA256: 75dd4d0abfaf3dce8ca6ebbd19036f4ee432b7921463513f940583b26fde9d1d
Uploaded: 2024-12-12 09:08:30 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: aiida-vasp
Version: 4.1.0
Summary: AiiDA plugin for running VASP calculations and workflows.
Author-Email: Espen Flage-Larsen <espen.flage-larsen[at]sigma2.no>
Project-Url: Source, https://github.com/aiida-vasp/aiida-vasp
Keywords: aiida,plugin
Classifier: Programming Language :: Python
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Framework :: AiiDA
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Framework :: AiiDA
Requires-Python: >=3.10
Requires-Dist: aiida-core (>=2.3)
Requires-Dist: ase
Requires-Dist: lxml
Requires-Dist: seekpath
Requires-Dist: packaging
Requires-Dist: pydantic
Requires-Dist: parsevasp (>=3.2)
Requires-Dist: aiida-core[docs] (~=2.4); extra == "docs"
Requires-Dist: sphinx-autodoc2; extra == "docs"
Requires-Dist: sphinx-autobuild; extra == "docs"
Requires-Dist: sphinx-lint; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinx_copybutton; extra == "docs"
Requires-Dist: sphinx_design; extra == "docs"
Requires-Dist: sphinx_togglebutton; extra == "docs"
Requires-Dist: sphinxext.remoteliteralinclude; extra == "docs"
Requires-Dist: matplotlib; extra == "graphs"
Requires-Dist: pre-commit; extra == "pre-commit"
Requires-Dist: aiida-core (>=2.6); extra == "tests"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: PyCifRW; extra == "tests"
Provides-Extra: docs
Provides-Extra: graphs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 3581 characters]

WHEEL

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aiida_vasp-4.1.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
vasp.immigrant = aiida_vasp.calcs.immigrant:VaspImmigrant
vasp.neb = aiida_vasp.calcs.neb:VaspNEBCalculation
vasp.vasp = aiida_vasp.calcs.vasp:VaspCalculation
vasp.vasp2w90 = aiida_vasp.calcs.vasp2w90:Vasp2w90Calculation
[aiida.cmdline.data]
vasp.potcar = aiida_vasp.commands.potcar:potcar
vasp.tools = aiida_vasp.commands.tools:tools
[aiida.data]
vasp.archive = aiida_vasp.data.archive:ArchiveData
vasp.chargedensity = aiida_vasp.data.chargedensity:ChargedensityData
vasp.potcar = aiida_vasp.data.potcar:PotcarData
vasp.potcar_file = aiida_vasp.data.potcar:PotcarFileData
vasp.wavefun = aiida_vasp.data.wavefun:WavefunData
[aiida.groups]
vasp.potcar = aiida_vasp.data.potcar:PotcarGroup
[aiida.parsers]
vasp.neb = aiida_vasp.parsers.neb:NebParser
vasp.vasp = aiida_vasp.parsers.vasp:VaspParser
[aiida.workflows]
vasp.bands = aiida_vasp.workchains.v2.bands:VaspBandsWorkChain
vasp.converge = aiida_vasp.workchains.v2.converge:VaspConvergenceWorkChain
vasp.hybrid_bands = aiida_vasp.workchains.v2.bands:VaspHybridBandsWorkChain
vasp.neb = aiida_vasp.workchains.neb:VaspNEBWorkChain
vasp.relax = aiida_vasp.workchains.v2.relax:VaspRelaxWorkChain
vasp.v2.bands = aiida_vasp.workchains.v2.bands:VaspBandsWorkChain
vasp.v2.converge = aiida_vasp.workchains.v2.converge:VaspConvergenceWorkChain
vasp.v2.hybrid_bands = aiida_vasp.workchains.v2.bands:VaspHybridBandsWorkChain
vasp.v2.relax = aiida_vasp.workchains.v2.relax:VaspRelaxWorkChain
vasp.v2.vasp = aiida_vasp.workchains.v2.vasp:VaspWorkChain
vasp.vasp = aiida_vasp.workchains.v2.vasp:VaspWorkChain
[console_scripts]
dryrun-vasp = aiida_vasp.commands.dryrun_vasp:cmd_dryrun_vasp
mock-vasp = aiida_vasp.commands.mock_vasp:mock_vasp
mock-vasp-loose = aiida_vasp.commands.mock_vasp:mock_vasp_loose