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1. If I would like to perform the MD simulation on Au32, what would be the proper parameters (initial temperature, total time duration) to apply? 2. If I would like to apply optimaization, what do these parameters(S, Fmax) mean?

1. If I would like to perform the MD simulation on Au32, what would be the proper parameters (initial temperature, total time duration) to apply? 2. If I would like to apply optimaization, what do these parameters(S, Fmax) mean?

C++ for Engineers and Scientists
C++ for Engineers and Scientists
4th Edition
ISBN:9781133187844
Author:Bronson, Gary J.
Publisher:Bronson, Gary J.
Chapter14: Numerical Methods
Section14.3: Refinements To The Bisection Method
Problem 4E
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1. If I would like to perform the MD simulation on Au32, what would be the proper parameters (initial temperature, total time duration) to apply?

2. If I would like to apply optimaization, what do these parameters(S, Fmax) mean? 

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