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exercises:2018_ethz_mmm:kmc2018 [2018/03/08 12:53] dpasseroneexercises:2018_ethz_mmm:kmc2018 [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 <note tip> <note tip>
-Please download the exercise from [[https://polybox.ethz.ch/index.php/s/VAgObKjIIVbKGGw|this link]] +Please download the program **kinetic_monte_carlo.py** from [[https://polybox.ethz.ch/index.php/s/CH5VdcI40YdELez|this link]] 
 </note> </note>
 The  molecule shown in the image (hexaiodo-substituted The  molecule shown in the image (hexaiodo-substituted
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 Molecules that "irreversibly" formed a bond with a neighboring molecule will be represented by red dots. Molecules that "irreversibly" formed a bond with a neighboring molecule will be represented by red dots.
 A few snapshots of the system during time evloution are saved as images. A few snapshots of the system during time evloution are saved as images.
 +
 +Execute the program 
 +<code>
 +python kinetic_monte_carlo.py
 +</code>
 +
 The program asks you for some input: The program asks you for some input:
  
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 <code> <code>
 update graph each steps 1000 update graph each steps 1000
-coverage 0.1+coverage 0.3
 number of steps 130000 number of steps 130000
 temperature in K 300 temperature in K 300
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 <code> <code>
 update graph each steps 1000 update graph each steps 1000
-coverage 0.1+coverage 0.3
 number of steps 300000 number of steps 300000
 temperature in K 300 temperature in K 300
exercises/2018_ethz_mmm/kmc2018.1520513627.txt.gz · Last modified: 2020/08/21 10:15 (external edit)