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Merged Saku Hakamaa requested to merge data_processing into master
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README.md
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The goal is to make a simulation where oxygen molecules interact with a stainless steel surface and oxidize it.
The goal is to make a simulation where oxygen molecules interact with a stainless steel surface and oxidize it.
The program uses a discrete Monte Carlo optimization algorithm to find the minimum energy configuration for the system.
The program uses a discrete Monte Carlo optimization algorithm to find the minimum energy configuration for the system.
 
The program uses Atomic the Atomic Simulation Environment (ASE) library (version 3.15).
The program writes an animation of the simulation into .xyz files.
The program writes an animation of the simulation into .xyz files.
Example outputs can be downloaded from https://seafile.utu.fi/d/7ec39b0788/.
Example outputs can be downloaded from https://seafile.utu.fi/d/7ec39b0788/.