Wheelodex » Projects » cpctools » cpctools-0.1.1-py3-none-any.whl

cpctools

View on PyPI — Reverse Dependencies (1)

0.1.1 cpctools-0.1.1-py3-none-any.whl

Wheel Details

Project: cpctools
Version: 0.1.1
Filename: cpctools-0.1.1-py3-none-any.whl
Download: [link]
Size: 36751
MD5: a0a884c04c235becfad3525f642a1ac7
SHA256: 72a0716764668f99c8ee1580c572ecfd7f479d4e2481d8b9c2d34c839904c979
Uploaded: 2023-11-16 16:13:53 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: cpctools
Version: 0.1.1
Summary: A package for analysing molecular systems
Author-Email: Daniele Rapetti <daniele.rapetti[at]polito.it>
Project-Url: Homepage, https://github.com/GMPavanLab/cpctools
Keywords: Molecular Dynamics,SOAP,simulation,simulation analysis
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: <3.11,>=3.8
Requires-Dist: ase (==3.22.1)
Requires-Dist: deprecated (==1.2.13)
Requires-Dist: h5py (==3.8.0)
Requires-Dist: mdanalysis (==2.4.2)
Requires-Dist: numpy (<1.24,>=1.18)
Requires-Dist: docutils (<0.18); extra == "docs"
Requires-Dist: ipython; extra == "docs"
Requires-Dist: myst-parser (==0.18.1); extra == "docs"
Requires-Dist: nbsphinx (==0.9.0); extra == "docs"
Requires-Dist: sphinx-autodoc-typehints (==1.22); extra == "docs"
Requires-Dist: sphinx-gallery (==0.12.2); extra == "docs"
Requires-Dist: sphinx-rtd-theme (==1.2.0); extra == "docs"
Requires-Dist: sphinx (<6,>=4); extra == "docs"
Requires-Dist: dscribe (<=1.2.2,>1.2.0); extra == "dscribe"
Requires-Dist: quippy-ase (==0.9.10); extra == "quippy"
Requires-Dist: coverage[toml]; extra == "tests"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Provides-Extra: docs
Provides-Extra: dscribe
Provides-Extra: quippy
Provides-Extra: tests
Description-Content-Type: text/markdown
License-Expression: MIT
License-File: LICENSE
[Description omitted; length: 5477 characters]

WHEEL

Wheel-Version: 1.0
Generator: hatchling 1.18.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
SOAPify/__init__.py sha256=8cyD_f3tOPcBCtbMbI4x6122LmBOtx9AJqg5OwF6beM 458
SOAPify/analysis.py sha256=MiMXsa1Jb6i37CYMdCR2Vin0wunVEZG7q2v8gKRNxHA 11240
SOAPify/classify.py sha256=dGtatWGiLE8CpTr-zB48iEcf8ZDGGGkD5m4EsiKlvDQ 9840
SOAPify/cli.py sha256=yofNDu5wxzsbgA6FNClr6v624vNAlwqK1Bf5u7y8vkU 7301
SOAPify/distances.py sha256=GCMg10iaQr_AiaOoKZfK5hbjLgiaHKaSCw0i17vkapM 2427
SOAPify/engine.py sha256=6jBw-TcPhrEbRDcASvTHq7F4L7l0-ZlUYZzyVu2CFE4 17579
SOAPify/saponify.py sha256=tAosZD5QE33s9i1g_M8XOh1EsJv9WZJnSOR4n9SKmuU 15439
SOAPify/utils.py sha256=r4jFOrjFk_O3oHMWeDog33y5xiau0qtIdOdFMhN1ZKg 11916
SOAPify/HDF5er/HDF5To.py sha256=GaUJ_89q5rtv_D_wtL5T_H6pJ9o3-j1k_XVT3G0CSO8 11323
SOAPify/HDF5er/HDF5erUtils.py sha256=y_dO2CT3gyvABS5HXADq76_cCBUugJNKHtZL-FYgKWU 3059
SOAPify/HDF5er/ToHDF5.py sha256=w7dUGKIP83BeXC9F-hyuTHugPRTg8glpS5xJIZe33Hc 7409
SOAPify/HDF5er/__init__.py sha256=-TWu1wKALd3PGPhZyzJvaG7bUTmkdOzzqHgoX5Vd2ro 176
SOAPify/transitions/__init__.py sha256=47cF-wz0ouScIDV4YD0vQueGk0z5ecn6wWiZ_mf40ZM 8853
SOAPify/transitions/tracker.py sha256=Yq-3CO2dqXVzjJUS6mlpWV2HokiHk0YlarRy0IL6M0U 8994
cpctools-0.1.1.dist-info/METADATA sha256=WT4l747g3cBt6iCTn0b6Bj2jfw1H0tz3iQHo84qo_Ec 7021
cpctools-0.1.1.dist-info/WHEEL sha256=9QBuHhg6FNW7lppboF2vKVbCGTVzsFykgRQjjlajrhA 87
cpctools-0.1.1.dist-info/entry_points.txt sha256=A_nJRJp1lQtJ6XIwXOtqd7T9gpXuQbmdv2btHGJwEdE 117
cpctools-0.1.1.dist-info/licenses/LICENSE sha256=C6obxVt15jaD9-NZ-3_FFQUBHxTWwn0n1Ln821PCmtA 1087
cpctools-0.1.1.dist-info/RECORD — —

entry_points.txt

[console_scripts]
SOAPify-prepareTrajectory = SOAPify.cli:createTrajectory
SOAPify-traj2SOAP = SOAPify.cli:traj2SOAP