[CP2K:7346] Gnuplot for Distance vs Simulation Time

Ari Paavo Seitsonen ari.p.s... at gmail.com
Sun Jan 17 12:41:23 UTC 2016

Dear Linda,

  Since no one else has apparently responded - if you are not willing to
write your own tiny analysis tool (python, FORTRAN, ...), you could use a
visualisation program like VMD: You mark a distance, then go to labels,
choose the distance you want and create a graph out of it; this you can
save in a format readable by GnuPlot.

    Greetings from Paris,


2016-01-16 19:42 GMT+01:00 Linda Sundarti <linda... at gmail.com>:

> Dear CP2K user,
> Halo everyone,
> I have some problem to graph my data that I conducted from CP2K. I want to
> make a graphic that describe the trace of distance versus simulation time
> (the example is in attached file). I have a data that consist of cartesian
> coordinat (xyz) and time step. Anybody can help me how to logical it in
> gnuplot or make it in gnuplot.
> Thank you very much for the attention and some assistances.
> Cheers,
> Linda
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  Ari Paavo Seitsonen / Ari.P.S... at iki.fi / http://www.iki.fi/~apsi/
  Ecole Normale Supérieure (ENS), Département de Chimie, Paris
  Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935
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