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cp2k-output-tools

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0.5.0 cp2k_output_tools-0.5.0-py3-none-any.whl

Wheel Details

Project: cp2k-output-tools
Version: 0.5.0
Filename: cp2k_output_tools-0.5.0-py3-none-any.whl
Download: [link]
Size: 22691
MD5: 6b6108ac9990605370c4863331f29182
SHA256: 8269ede667cf2eeaa1a55c8651a1c1921a549df796e098e52d68ef90815c8986
Uploaded: 2021-07-29 09:51:50 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: cp2k-output-tools
Version: 0.5.0
Summary: Python tools to handle CP2K output files
Author: Tiziano Müller
Author-Email: tiziano.mueller[at]chem.uzh.ch
Home-Page: https://github.com/cp2k/cp2k-output-tools
Project-Url: Repository, https://github.com/cp2k/cp2k-output-tools
License: MIT
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6,<4.0
Requires-Dist: click (<9.0.0,>=8.0.1)
Requires-Dist: dataclasses (<1,>=0.7); python_version >= "3.6" and python_version < "3.7"
Requires-Dist: numpy (<2.0,>=1.19)
Requires-Dist: regex (<2022.0,>=2021.4)
Requires-Dist: ruamel.yaml (<0.18.0,>=0.16.5); extra == "yaml"
Provides-Extra: yaml
Description-Content-Type: text/markdown
[Description omitted; length: 14220 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry 1.0.2
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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cp2k_output_tools/blocks/common.py sha256=3MuvYXOf5io-pydTxXXE_0xtAwTEhmEWNnc4EhcY7ZI 1303
cp2k_output_tools/blocks/condition_number.py sha256=-XUidvluCNHTDBS3ZP4gOLkWPiGIGANAorWmrZETg6I 2548
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cp2k_output_tools/blocks/mulliken.py sha256=ex9fJHSio2o2lbiBiZOQMsZUggz6eQ5IPfjzZaG5aks 3127
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cp2k_output_tools/scripts/pdos.py sha256=wvryOJM-sHZrAiaIK1dVBT9ZnKiuB5o8kWwcKwVKxgs 5442
cp2k_output_tools/trajectories/xyz.py sha256=MVRvPTI9npW2hQ6_3YNM5HouOy36lx_NGcz_grs7pQA 7351
cp2k_output_tools/trajectories/xyz_cli.py sha256=qqgzpqtEugypoyXFLe73yX6oeewKnUiMnqw0p-LYDAw 2631
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cp2k_output_tools-0.5.0.dist-info/RECORD — —

entry_points.txt

[console_scripts]
cp2k_bs2csv = cp2k_output_tools.cli:cp2k_bs2csv
cp2k_pdos = cp2k_output_tools.scripts.pdos:cp2k_pdos
cp2kparse = cp2k_output_tools.cli:cp2kparse
xyz_restart_cleaner = cp2k_output_tools.trajectories.xyz_cli:xyz_restart_cleaner