[DFTB-Plus-User] Utility to represent MD results

[Bálint Aradi]

Dear Nam, Tran Van

> I'm a new user of DFTB +, please let me know if there is a tool for drawing graphs, for example Etot - Temperature from output file? I think it would be inconvenient if you have to get results from the output file by hand.

 At the moment, we do not have such a tool. However, md.out contains
already a lot of those things you need, you just have to 'grep' it or
use some scrpiting language with regular expressions (Python, Perl, ...)

  Best regards

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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