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0.1.0 aiida_inq-0.1.0-py3-none-any.whl

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Project: aiida-inq
Version: 0.1.0
Filename: aiida_inq-0.1.0-py3-none-any.whl
Download: [link]
Size: 21966
MD5: 22c36001c918e6ba38fc740c3954b251
SHA256: 8ac96ed104b86b1eaae8c60e08452111773b4775353608bbe987c73a9a4a32b0
Uploaded: 2024-10-08 00:40:06 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida_inq
Version: 0.1.0
Summary: The official AiiDA plugin for INQ.
Author-Email: Nathan Keilbart <keilbart1[at]llnl.gov>
Project-Url: Source, https://github.com/LLNL/aiida-inq
Keywords: aiida,workflows,inq
Classifier: Development Status :: 4 - Beta
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.10
Requires-Dist: aiida-core (~=2.0)
Requires-Dist: ase
Requires-Dist: aiida-ase
Requires-Dist: numpy
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-autoapi; extra == "docs"
Requires-Dist: sphinx-book-theme; extra == "docs"
Requires-Dist: sphinx-click; extra == "docs"
Requires-Dist: sphinx-copybutton; extra == "docs"
Requires-Dist: pre-commit; extra == "pre-commit"
Requires-Dist: pylint; extra == "pre-commit"
Requires-Dist: pgtest; extra == "tests"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-regressions; extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 552 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
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Tag: py3-none-any

RECORD

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aiida_inq/parsers/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_inq/parsers/inq.py sha256=itABiE2HybEFGqMSJ7LP2Jf6NsRQX3gpL_U43b0KaeQ 6918
aiida_inq/workflows/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_inq/workflows/base.py sha256=VEL91bNTtDjlS9dyerEha71RTBpvT1XTAEMElSSnfJw 5435
aiida_inq/workflows/convergence.py sha256=QjMNBsugUgGoMCx7g4JL2khgGwhe2mGgqusQsNwiZpc 14817
aiida_inq/workflows/tddft.py sha256=oL6VJ5wl0DKV_byuDC5KGkyKL_koXz9FRd1twv27dOw 8130
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aiida_inq/workflows/protocols/inq/base.yaml sha256=7KUKUneO1NwkHy94y9s-XuJefWm0c2wSZpFmNMA6Dqw 1055
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aiida_inq/workflows/protocols/inq/tddft.yaml sha256=_eye2q8Etj2d1ykMOqBLB1QeotiJlAfGpNm9zSqhXdc 1189
aiida_inq/workflows/protocols/pseudos/pseudos.yaml sha256=N7hqDOA15Q7EuD1ofCFqIe_snIxnLSwxPoTPPJDOgmM 24878
aiida_inq-0.1.0.dist-info/entry_points.txt sha256=fLkC3_4cmGvkiMQBoEL4xUoN8i4Nocrhb6T3vahshMs 449
aiida_inq-0.1.0.dist-info/LICENSE.txt sha256=4UzERJ8HKablbMo1XMq-_6MDUqIy94miBP7PbwsnJxI 1095
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aiida_inq-0.1.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
inq.create_kpoints_from_distance = aiida_inq.calculations.functions.create_kpoints_from_distance:create_kpoints_from_distance
inq.inq = aiida_inq.calculations.inq:InqCalculation
[aiida.parsers]
inq.inq = aiida_inq.parsers.inq:InqParser
[aiida.workflows]
inq.base = aiida_inq.workflows.base:InqBaseWorkChain
inq.convergence = aiida_inq.workflows.convergence:InqConvergenceWorkChain
inq.tddft = aiida_inq.workflows.tddft:InqTDDFTWorkChain