aiida-sssp-workflow

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0.1.0 aiida_sssp_workflow-0.1.0-cp39-cp39-manylinux2014_x86_64.whl
aiida_sssp_workflow-0.1.0-cp38-cp38-manylinux2014_x86_64.whl
aiida_sssp_workflow-0.1.0-cp37-cp37m-manylinux2014_x86_64.whl

Wheel Details

Project: aiida-sssp-workflow
Version: 0.1.0
Filename: aiida_sssp_workflow-0.1.0-cp39-cp39-manylinux2014_x86_64.whl
Download: [link]
Size: 1854734
MD5: 43108bd9765f27b1006716310494428e
SHA256: cb229ba7c1f1f5a45cb7187f36d5bdcb21f411690070c493831e262725e82db0
Uploaded: 2021-01-29 07:37:31 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: aiida-sssp-workflow
Version: 0.1.0
Summary: AiiDA plugin SSSP verification workflows
Author: Jason Yu
Author-Email: morty.yeu[at]gmail.com
Home-Page: https://github.com/aiidateam/aiida-sssp-workflow
License: MIT
Classifier: Programming Language :: Python
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Framework :: AiiDA
Classifier: Environment :: Plugins
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.7
Requires-Dist: aiida-core (<2.0.0,>=1.1.0)
Requires-Dist: aiida-quantumespresso (~=3.2)
Requires-Dist: aiida-codtools (~=2.1)
Requires-Dist: aiida-optimize (~=0.4)
Requires-Dist: numpy
Requires-Dist: ase (~=3.20)
Requires-Dist: seekpath (~=1.9)
Requires-Dist: importlib-resources (~=3.3)
Requires-Dist: voluptuous
Requires-Dist: Sphinx; extra == "docs"
Requires-Dist: docutils; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: pylint (~=2.6.0); extra == "pre-commit"
Requires-Dist: pgtest (~=1.3); extra == "tests"
Requires-Dist: pytest (~=6.0); extra == "tests"
Requires-Dist: pytest-regressions (~=1.0); extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 5726 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: false
Tag: cp39-cp39-manylinux2014_x86_64

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aiida_sssp_workflow/workflows/protocol.yml sha256=Q_niO55zqCj5N0HC8usroMzFWYlNHrb7mfvNc6Ui8Zk 3968
aiida_sssp_workflow/workflows/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_sssp_workflow/workflows/cohesive_energy.py sha256=y8UD7vJycVHF8e-0E9HNhCsQqnbT639DPJ8KAbi8uVo 12341
aiida_sssp_workflow/workflows/verifications.py sha256=nECyGWGHxK1OM5h6zI0Y4i7kM2fSrbwcd3f2k7yILxU 12073
aiida_sssp_workflow/workflows/convergence/bands.py sha256=qJuGVCDaxLoGVdhdChG4io1nrjAqGLm9uPZJQwMmTRw 5711
aiida_sssp_workflow/workflows/convergence/pressure.py sha256=3L6Y2plgaZJTAO3q5kWhtWVQWZTwL8mFr1viX536Ckk 5330
aiida_sssp_workflow/workflows/convergence/base.py sha256=P2Jh04XPvwqa1RdLUsZRIkLQsbA3NuguShJ6POZAMb4 14490
aiida_sssp_workflow/workflows/convergence/phonon_frequencies.py sha256=XPd0lSe-glldIXqF32qKfzh07o-mfffwIQovRhtI_08 5337
aiida_sssp_workflow/workflows/convergence/engine.py sha256=d-CVydKAT1pKsH2IpjygXipYKAj2-tndtj0VnhFFBuE 6665
aiida_sssp_workflow/workflows/convergence/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_sssp_workflow/workflows/convergence/cohesive_energy.py sha256=0hyqvY0RcYe3aLKxCgpqpBI-b9dn-NOwTac1QnZHSjU 4693
aiida_sssp_workflow/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0

top_level.txt

aiida_sssp_workflow
sssp

entry_points.txt

sssp_workflow.birch_murnaghan_fit = aiida_sssp_workflow.calculations.birch_murnaghan_fit:birch_murnaghan_fit
sssp_workflow.calculate_delta = aiida_sssp_workflow.calculations.calculate_delta:calculate_delta
sssp_workflow.calculate_delta_volume = aiida_sssp_workflow.calculations.calculate_delta_volume:calculate_delta_volume
sssp_workflow.convergence.bands = aiida_sssp_workflow.workflows.convergence.bands:ConvergenceBandsWorkChain
sssp_workflow.convergence.cohesive_energy = aiida_sssp_workflow.workflows.convergence.cohesive_energy:ConvergenceCohesiveEnergyWorkChain
sssp_workflow.convergence.phonon_frequencies = aiida_sssp_workflow.workflows.convergence.phonon_frequencies:ConvergencePhononFrequenciesWorkChain
sssp_workflow.convergence.pressure = aiida_sssp_workflow.workflows.convergence.pressure:ConvergencePressureWorkChain
sssp_workflow.delta_factor = aiida_sssp_workflow.workflows.delta_factor:DeltaFactorWorkChain
sssp_workflow.evaluation.bands = aiida_sssp_workflow.workflows.bands:BandsWorkChain
sssp_workflow.verification = aiida_sssp_workflow.workflows.verifications:VerificationWorkChain
aiida-sssp-workflow = aiida_sssp_workflow.cli:cmd_root