Wheelodex » Projects » kinisi

kinisi

View on PyPI — Reverse Dependencies (0)

1.0.0 kinisi-1.0.0-py3-none-any.whl

Wheel Details

Project: kinisi
Version: 1.0.0
Filename: kinisi-1.0.0-py3-none-any.whl
Download: [link]
Size: 5018334
MD5: d88f2806e4bf2fedd592cce67fd242ad
SHA256: d61722b0dc69864fa7594675ce13fe872f540faa75db5ecb2fdfe36ce38f16d3
Uploaded: 2024-02-12 15:45:03 +0000

dist-info

METADATA · WHEEL · RECORD

METADATA

Metadata-Version: 2.1
Name: kinisi
Version: 1.0.0
Summary: Efficient estimation of diffusion processes from molecular dynamics.
Author-Email: "Andrew R. McCluskey" <andrew.mccluskey[at]ess.eu>, "Benjamin J. Morgan" <b.j.morgan[at]bath.ac.uk>
Maintainer-Email: "Andrew R. McCluskey" <andrew.mccluskey[at]ess.eu>, "Benjamin J. Morgan" <b.j.morgan[at]bath.ac.uk>
Project-Url: homepage, https://github.com/bjmorgan/kinisi
Project-Url: documentation, https://kinisi.rtfd.io
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
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: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
Requires-Dist: numpy
Requires-Dist: scikit-learn
Requires-Dist: scipy (>=1.9.3)
Requires-Dist: statsmodels (>=0.14.0)
Requires-Dist: tqdm
Requires-Dist: uravu (>=1.3.0)
Requires-Dist: ase; extra == "dev"
Requires-Dist: codeclimate-test-reporter; extra == "dev"
Requires-Dist: coverage; extra == "dev"
Requires-Dist: h5py; extra == "dev"
Requires-Dist: mdanalysis; extra == "dev"
Requires-Dist: pyblock; extra == "dev"
Requires-Dist: pymatgen; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: yapf; extra == "dev"
Requires-Dist: corner; extra == "docs"
Requires-Dist: h5py; extra == "docs"
Requires-Dist: ipykernel; extra == "docs"
Requires-Dist: mdanalysis; extra == "docs"
Requires-Dist: myst-parser; extra == "docs"
Requires-Dist: nbsphinx; extra == "docs"
Requires-Dist: pydata-sphinx-theme; extra == "docs"
Requires-Dist: pymatgen; extra == "docs"
Requires-Dist: pymatgen-analysis-diffusion; extra == "docs"
Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
Provides-Extra: dev
Provides-Extra: docs
Description-Content-Type: text/markdown
License-Expression: MIT
License-File: LICENSE
[Description omitted; length: 1514 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.21.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
kinisi/__init__.py sha256=RsZjRjMprNcDm97wqRRSk6rTLgTX8N0GyicZyZ8OsBQ 22
kinisi/analyze.py sha256=UemELvJvNX0rVi1sCvjVJuhPw_xXHdMBfSd3nLdRQqM 941
kinisi/analyzer.py sha256=Sp9xRjZ-OqY77CPR2NVMz7M7jEJe2DFmrIRXxE5-exg 19849
kinisi/arrhenius.py sha256=EDknsnJvT2cFaN-mru7xHYU25a5D4vVVnky-vNnspjM 7609
kinisi/conductivity_analyzer.py sha256=1pFOjaWN-CGIPqrxAmD9y6V8ZFCQpZB9nKPJKXCDQx0 15019
kinisi/diffusion.py sha256=MPHAc6u6MUbvVvW3BzNhIiS-MeZXioXMVFWWNJzzm2M 40763
kinisi/diffusion_analyzer.py sha256=-uvcNtf_oQ7mJI8cCm7sL_ot5FJ-ihc_W08DA0a1lss 13098
kinisi/jump_diffusion_analyzer.py sha256=Rtzaip7SHVzTMc860YtVawMDZYYgzwRWIbeirggutg4 13442
kinisi/parser.py sha256=eb7jb0DTY2qjkYmLIzpLMydz5wCIiFYF-0JWLdwoYGY 38084
kinisi/tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
kinisi/tests/test_analyze.py sha256=MG_k_w3IjgSZEZ2-djGHSvCe3gO6JBcIixqS6S8jt6o 18435
kinisi/tests/test_arrhenius.py sha256=ClEb7TSkKRsqcLhV4BESnbcvFQriWCABP4eS3PPxu0o 1898
kinisi/tests/test_diffusion.py sha256=YVda0MreaiQXsU8_LrJj5--nAjKa0o3rm1LONBNrftw 40847
kinisi/tests/test_parser.py sha256=G6XBmfG2MjaaG0D03WozZEUUqBWBg3DSr1ugo1z7xcU 16007
kinisi/tests/inputs/example_LAMMPS.data sha256=H6qiqUPnPFZbslIYVHLudUB0JUH7Y633435MmFtzgBw 46919
kinisi/tests/inputs/example_LAMMPS.dcd sha256=qnejxvUT2aCQ7vXXaUYcY_MhJprrIWCY3jba8eOWMEA 630756
kinisi/tests/inputs/example_LAMMPS_center.data sha256=_Tz9Y553y7RTrITKWM-umfZncVuq53ro4roPASmB0a8 174
kinisi/tests/inputs/example_LAMMPS_center.traj sha256=MgHO-zkPdpG5WTVmXrnGVwdG_tt-pVjyqegM47GKY6c 629
kinisi/tests/inputs/example_LAMMPS_drift.data sha256=R13Hinht7IVKFzIdCvyPfmXJ58LAJdf8f3-_P440ES4 345
kinisi/tests/inputs/example_LAMMPS_drift.traj sha256=GfGmyULYx19sta2NALL0uQlYuE6h2hrQ378_dfhdTIE 1116
kinisi/tests/inputs/example_XDATCAR.gz sha256=zbEetPSQJ3c5_TD7ka-H0KmJVs4TktVsE4IlICd5c_I 842426
kinisi/tests/inputs/example_ase.traj sha256=fSN2jveOM5etGIUFm1LGGFszGZJn-CodvsQRDYZOafw 4297126
kinisi/tests/inputs/example_ase_center.traj sha256=GZgVaGNr4P79ebhe-HjEaOFOcObBEQPoyhS8bt3Tt8A 1307
kinisi/tests/inputs/example_ase_drift.traj sha256=ylogtrDlEnPdEZ1Rw1_s0qpXnXWrRBPkxA0mh4L2whY 1918
kinisi/tests/inputs/example_center.XDATCAR sha256=UxgPmjM3W4VMj7pC0kDdCfUelt3L1WnrfSUX-O9Q_dk 716
kinisi/tests/inputs/example_drift.XDATCAR sha256=323YUsgwoxTCyj8azcxlrcd0aJqpy-7Tiuioi-85J3Q 1594
kinisi-1.0.0.dist-info/METADATA sha256=zjRxhxaelZMbzmW-JG4naXvdbeKSk9LNR56ZSTzfCQ4 3732
kinisi-1.0.0.dist-info/WHEEL sha256=TJPnKdtrSue7xZ_AVGkp9YXcvDrobsjBds1du3Nx6dc 87
kinisi-1.0.0.dist-info/licenses/LICENSE sha256=OeUObkPYXrNnhmbXvayQp0hYsL2QMFruNYlHpdoqMUQ 1099
kinisi-1.0.0.dist-info/RECORD — —