CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:2014_uzh_molsim:gnuplot

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision		Previous revision
Next revisionBoth sides next revision
exercise:mm_uzh:gnuplot [2014/04/24 17:12] – talirzexercise:mm_uzh:gnuplot [2014/04/29 13:24] – talirz
Line 11: Line 11:
 plot sin(x)                                # use plot for 2d plots plot sin(x)                                # use plot for 2d plots
 splot sin(x)*sin(y)                        # use splot for 3d plots splot sin(x)*sin(y)                        # use splot for 3d plots
-plot 'spectrum.energ' using 1:4            # plot column 1 as x and column 4 as y+plot 'spectrum.ener' using 1:4            # plot column 1 as x and column 4 as y
 replot 'spectrum.ener' using 1:($3+$5) title 'Total energy' replot 'spectrum.ener' using 1:($3+$5) title 'Total energy'
 set ylabel "time steps" set ylabel "time steps"
Line 54: Line 54:
 <note>**TASK 2** <note>**TASK 2**
  
-  - Create a second plot, this time of temperature versus time.+  - Create a second plot, this time of temperature versus simulation time.
   - Label axes of the plot with appropriate units.   - Label axes of the plot with appropriate units.
   - Use Gnuplot's fitting functionality to extract the //average// temperature.   - Use Gnuplot's fitting functionality to extract the //average// temperature.
exercises/2014_uzh_molsim/gnuplot.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1