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lsmo-epfl / aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL
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docs: update simulated annealing #47

Closed ltalirz closed 3 years ago

ltalirz commented 3 years ago

It's much clearer now. Is there a specific reason, why the last temperature point in this 50K and not 0K?

I'm not an MC person, but I guess a 0K Monte-Carlo calculation is essentially a very inefficient geometry optimization (you cannot accept any moves that increase the energy)

danieleongari commented 3 years ago

Ah, ok, you merged in the meanwhile I was reviewing: that's ok my comment was minor

ltalirz commented 3 years ago

Ah, ok, you merged in the meanwhile I was reviewing: that's ok my comment was minor

Sorry, I'll add it in the next update of the docs