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exercises:2018_ethz_mmm:h2o_md [2018/03/02 11:14]
dpasserone
exercises:2018_ethz_mmm:h2o_md [2018/03/02 15:36]
dpasserone
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 Download the 2.1 exercise into your **EXERCISES** folder and unzip it.  Download the 2.1 exercise into your **EXERCISES** folder and unzip it. 
  
-<code> +
-max@qmobile:~$ cd ; cd EXERCISES +
-max@qmobile:~$ wget https://polybox.ethz.ch/index.php/s/ULaq6rjhg4Pu63A +
-max@qmobile:~$ unzip exercise_2.1.zip +
-max@qmobile:~$ cd exercise_2.1 +
-</code>+
  
 This exercise is mostly taken by a [[https://www.cp2k.org/exercises:2015_uzh_molsim:index|previous lab session]] by Marcella Iannuzzi, UZH, who should be credited and acknowledged here. This exercise is mostly taken by a [[https://www.cp2k.org/exercises:2015_uzh_molsim:index|previous lab session]] by Marcella Iannuzzi, UZH, who should be credited and acknowledged here.
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 <code>./vel_autocorr.py T300-vel-1.xyz 3 10 100  <code>./vel_autocorr.py T300-vel-1.xyz 3 10 100 
 ./vel_autocorr_plot.py vel_autocorr.out ./vel_autocorr_plot.py vel_autocorr.out
-./mean_square_displ.py T300.xyz 3 10 100+./mean_square_disp.py T300.xyz 3 10 100
 ./msd_fit_and_plot.py mean_square_disp.out ./msd_fit_and_plot.py mean_square_disp.out
 </code> </code>
 +Remember: to display the **png** files, the command is <code>display file.png</code>
 <note important>Assignments <note important>Assignments
   - look at the file T300-1.ener at the end of the simulation. It contains several quantities. Check the header!   - look at the file T300-1.ener at the end of the simulation. It contains several quantities. Check the header!
exercises/2018_ethz_mmm/h2o_md.txt · Last modified: 2020/08/21 10:15 (external edit)