A Small Package to Postprocess Cp2k Output
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Project description
CP2KData
A Python Package to postprocess cp2k data, including cube, pdos, output files
Installation
From pip
pip install cp2kdata
From source
One can download the source code of cp2kdata by
git clone https://github.com/robinzyb/cp2kdata.git cp2kdata
then use pip to install the module from source
cd cp2kdata
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.
Developer
set environment variable CP2KDATA_LOG_LEVEL to DEBUG to get the complete information.
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