A Small Package to Postprocess Cp2k Output

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  • License: GNU Library or Lesser General Public License (LGPL) (GNU LESSER GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundati...)
  • Author: Yongbin Zhuang
  • Tags cp2k, cp2kdata
  • Requires: Python >=3.8
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Project description

CP2KData

Python packageCoverage Status pythonv pypiv PyPI - pip install

Python Package to postprocess cp2k data, including cube, pdos, output files

Installation

From pip

pip install cp2kdata

From source

pip install .

Manipulate CP2K Files

Additional Features

Feature Request

Any advice is welcome. If you would like to request a new feature, please open an issue in github and upload example input and output files.

Project details

Verified details

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Avatar for robinzhuang from gravatar.com robinzhuang

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Project links
Meta
  • License: GNU Library or Lesser General Public License (LGPL) (GNU LESSER GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundati...)
  • Author: Yongbin Zhuang
  • Tags cp2k, cp2kdata
  • Requires: Python >=3.8
Classifiers

Release history Release notifications | RSS feed

0.7.1

0.7.0

0.6.9

0.6.8

0.6.7

0.6.6

0.6.5

0.6.4

This version

0.6.3

0.6.2

0.6.1

0.4.3

0.4.1

0.4.0

0.2.0

0.1.1

0.0.1

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Source Distribution

Cp2kData-0.6.3.tar.gz (37.5 kB view hashes)

Uploaded Source

Built Distribution

Cp2kData-0.6.3-py3-none-any.whl (46.9 kB view hashes)

Uploaded Python 3

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