exercises:2018_ethz_mmm:kmc2018
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionLast revisionBoth sides next revision | ||
| exercises:2018_ethz_mmm:kmc2018 [2018/03/08 12:53] – dpasserone | exercises:2018_ethz_mmm:kmc2018 [2018/03/09 07:33] – dpasserone | ||
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| Line 3: | Line 3: | ||
| <note tip> | <note tip> | ||
| - | Please download the exercise | + | Please download the program **kinetic_monte_carlo.py** |
| </ | </ | ||
| The molecule shown in the image (hexaiodo-substituted | The molecule shown in the image (hexaiodo-substituted | ||
| Line 31: | Line 31: | ||
| Molecules that " | Molecules that " | ||
| 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 | ||
| + | < | ||
| + | python kinetic_monte_carlo.py | ||
| + | </ | ||
| + | |||
| The program asks you for some input: | The program asks you for some input: | ||
| Line 47: | Line 53: | ||
| < | < | ||
| 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 | ||
| Line 64: | Line 70: | ||
| < | < | ||
| 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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1