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1.1.1 aiida_vibroscopy-1.1.1-py3-none-any.whl

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Project: aiida-vibroscopy
Version: 1.1.1
Filename: aiida_vibroscopy-1.1.1-py3-none-any.whl
Download: [link]
Size: 121519
MD5: 83d204b35e4b81e6d7d0f77ed4caff17
SHA256: 286ae7c911110f806e6f6a3f1747ad91b83973cccef0caec20ecdec715206d93
Uploaded: 2024-09-11 17:31:59 +0000

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METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-vibroscopy
Version: 1.1.1
Summary: AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.
Author-Email: Lorenzo Bastonero <bastonero.lorenzo[at]gmail.com>
Project-Url: Source, https://github.com/bastonero/aiida-vibroscopy
Keywords: aiida,workflows
Classifier: Development Status :: 5 - Production/Stable
Classifier: Framework :: AiiDA
Classifier: License :: Other/Proprietary License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.8
Requires-Dist: aiida-core (<3.0.0,>=2.2.2)
Requires-Dist: aiida-quantumespresso (>=4.3.0)
Requires-Dist: aiida-phonopy (>=1.1.3)
Requires-Dist: spglib (<2.5)
Requires-Dist: phonopy (<=2.25.0,>=2.19.0)
Requires-Dist: myst-nb (~=1.0.0); extra == "docs"
Requires-Dist: sphinx (~=6.2.1); extra == "docs"
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Requires-Dist: myst_parser (~=1.0.0); extra == "docs"
Requires-Dist: sphinx-togglebutton; extra == "docs"
Requires-Dist: pre-commit (~=2.17); extra == "pre-commit"
Requires-Dist: pylint (==2.13.7); extra == "pre-commit"
Requires-Dist: pylint-aiida (~=0.1.1); extra == "pre-commit"
Requires-Dist: toml; extra == "pre-commit"
Requires-Dist: pgtest (~=1.3); extra == "tests"
Requires-Dist: pytest (~=6.0); extra == "tests"
Requires-Dist: coverage[toml]; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Requires-Dist: pytest-regressions (~=2.3); extra == "tests"
Requires-Dist: pytest-timeout; extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 3570 characters]

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entry_points.txt

[aiida.data]
vibroscopy.fp = aiida_vibroscopy.data.vibro_fp:VibrationalFrozenPhononData
vibroscopy.vibrational = aiida_vibroscopy.data.vibro_lr:VibrationalData
[aiida.workflows]
vibroscopy.dielectric = aiida_vibroscopy.workflows.dielectric.base:DielectricWorkChain
vibroscopy.dielectric.numerical_derivatives = aiida_vibroscopy.workflows.dielectric.numerical_derivatives:NumericalDerivativesWorkChain
vibroscopy.phonons.harmonic = aiida_vibroscopy.workflows.phonons.harmonic:HarmonicWorkChain
vibroscopy.phonons.phonon = aiida_vibroscopy.workflows.phonons.base:PhononWorkChain
vibroscopy.spectra.intensities_average = aiida_vibroscopy.workflows.spectra.intensities_average:IntensitiesAverageWorkChain
vibroscopy.spectra.iraman = aiida_vibroscopy.workflows.spectra.iraman:IRamanSpectraWorkChain