MC example in manual - Metrpolis condition

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1

Dear all,

Hi, I have read the MC example in the manual on page 411.
It is written: “random.random() <= math.exp(natoms*(elast-e)/kT)”.

Does anyone know why “natoms” appears there?

Thanks,
Best,
Asaf

2

Are elast and e averaged over all atoms instead of the total potential energy?

3

Maybe. I’ll check that. Thanks!

Best,
Asaf