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exercises:2018_ethz_mmm:h2o_md [2018/03/02 14:57]
dpasserone
exercises:2018_ethz_mmm:h2o_md [2018/03/02 15:36] (current)
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/​exercise_2.1.zip +
-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.1520002648.txt.gz · Last modified: 2018/03/02 14:57 by dpasserone