exercises:2018_ethz_mmm:mc2018
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exercises:2018_ethz_mmm:mc2018 [2018/03/08 08:14] – dpasserone | exercises:2018_ethz_mmm:mc2018 [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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- | ====== Monte Carlo simulations for the estimation of molecule | + | ====== Monte Carlo simulations for the estimation of pair interactions |
===== | ===== | ||
In this exercise you will perform a MC simulation for different coverages of " | In this exercise you will perform a MC simulation for different coverages of " | ||
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- | Please download the exercise | + | Please download the program **monte_carlo.py** |
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<note important> | <note important> | ||
**TASK 1** | **TASK 1** | ||
- | Execute the program with parameters: | + | Execute the program |
+ | < | ||
+ | python monte_carlo.py | ||
+ | </ | ||
+ | with parameters: | ||
< | < | ||
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</ | </ | ||
<note important> | <note important> | ||
- | The most complex (and unefficient) sections of the code are the two functions | + | **TASK 5** The most complex (and unefficient) sections of the code are the two functions |
< | < | ||
def allconnected(m, | def allconnected(m, | ||
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</ | </ | ||
which finds out all the molecules that are 1st neighbors to a given one. | which finds out all the molecules that are 1st neighbors to a given one. | ||
+ | <note warning> | ||
To understand these sections you have to refer to the graph of the hexagonal lattice | To understand these sections you have to refer to the graph of the hexagonal lattice | ||
with the convention adopted for the coordinate system. | with the convention adopted for the coordinate system. | ||
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Just think how you would do the task of identifying, | Just think how you would do the task of identifying, | ||
an isolated dimer and thr ones that form clusters. Google can help you :) (you do not have to find a solution) | an isolated dimer and thr ones that form clusters. Google can help you :) (you do not have to find a solution) | ||
+ | </ | ||
</ | </ | ||
<note important> | <note important> | ||
- | **TASK | + | **TASK |
The code, at each step, moves a particle chosen randomly to a new site chosen randomly. | The code, at each step, moves a particle chosen randomly to a new site chosen randomly. | ||
**Would it be correct to move all particles in a step? | **Would it be correct to move all particles in a step? |
exercises/2018_ethz_mmm/mc2018.1520496888.txt.gz · Last modified: 2020/08/21 10:15 (external edit)