This package purpose is to help users to handle Real-Time files from the CP2K software and to perform some analysis.
In order to install the package you have to install the cp2kRTPtools-VERSION.tar.gz file (with VERSION the version of the package). To do so, you can use pip. For instance, assuming that python3 is the executable for Python version 3.X, run this line from a shell where the cp2kRTPtools-VERSION.tar.gz is:
$ python3 -m pip install cp2kRTPtools-VERSION.tar.gz
A tutorial is available in the Tutorial folder (jupyter notebook) along with some typical files. Another notebook, usefull_commands, provides more tips about real time file analysis.
This package was initiated by Guillaume Le Breton with the help for André Borrfors and Fernanda Nunes from Zurich University. Please feel free to open an issue or to contact us for help or if you want to contribute to the package!