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1.0.2 aiida_lammps-1.0.2-py3-none-any.whl

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Project: aiida-lammps
Version: 1.0.2
Filename: aiida_lammps-1.0.2-py3-none-any.whl
Download: [link]
Size: 60085
MD5: b3f8fc330026c7547480a2269ca1015b
SHA256: 57f8755358c64ad08a30dda1d13ac9e5506d2d56b4a3ac854bac77970c43df6d
Uploaded: 2024-04-26 15:08:37 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-lammps
Version: 1.0.2
Summary: AiiDA plugin for the LAMMPS code
Author-Email: Chris Sewell <chrisj_sewell[at]hotmail.com>, Jonathan Chico <jonathan.chico[at]sandvik.com>
Project-Url: Documentation, https://aiida-lammps.readthedocs.io
Project-Url: Source, https://github.com/aiidaplugins/aiida-lammps
Keywords: aiida,workflows,lammps
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Framework :: AiiDA
Requires-Python: >=3.9
Requires-Dist: aiida-core[atomic_tools] (~=2.3)
Requires-Dist: importlib_resources
Requires-Dist: jsonschema (~=3.2.0)
Requires-Dist: numpy
Requires-Dist: packaging
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Requires-Dist: myst_parser (~=2.0.0); extra == "docs"
Requires-Dist: furo; extra == "docs"
Requires-Dist: pre-commit (~=2.17); extra == "pre-commit"
Requires-Dist: pgtest (~=1.3); extra == "tests"
Requires-Dist: pytest (~=7.4); extra == "tests"
Requires-Dist: pytest-regressions (~=2.3); extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Requires-Dist: coverage; extra == "tests"
Requires-Dist: pytest-timeout; 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: 4535 characters]

WHEEL

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

RECORD

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aiida_lammps/workflows/md.py sha256=9ln5g7dt8CcogmxibjtmMCEcJ4zWVHczd34jiWetCaE 7361
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aiida_lammps-1.0.2.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
lammps.base = aiida_lammps.calculations.base:LammpsBaseCalculation
lammps.raw = aiida_lammps.calculations.raw:LammpsRawCalculation
[aiida.data]
lammps.potential = aiida_lammps.data.potential:LammpsPotentialData
lammps.trajectory = aiida_lammps.data.trajectory:LammpsTrajectory
[aiida.parsers]
lammps.base = aiida_lammps.parsers.base:LammpsBaseParser
lammps.raw = aiida_lammps.parsers.raw:LammpsRawParser
[aiida.workflows]
lammps.base = aiida_lammps.workflows.base:LammpsBaseWorkChain
lammps.md = aiida_lammps.workflows.md:LammpsMDWorkChain
lammps.relax = aiida_lammps.workflows.relax:LammpsRelaxWorkChain