/CP2K_Editor

CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.

Primary LanguagePythonOtherNOASSERTION

CP2K Editor is a simple GUI for the atomistic program CP2K 5.1. It is a easy and fast way to create the complex input file used in CP2K.
The CP2K Editor is started by running the script Editor.py with your python enviroment.
To run CP2K Editor fully, the python packages Tkinter, Matplotlib, Numpy, Copy, SYS, and OS are reuqired in the python enviroments. 
Further information: 
Vishart, A.L., Ree, N. & Mikkelsen, K.V. J Mol Model (2019) 25: 115. https://doi.org/10.1007/s00894-019-3987-6