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Implement Hybrid Monte-Carlo #16

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Luthaf opened this issue Feb 13, 2016 · 2 comments
Open

Implement Hybrid Monte-Carlo #16

Luthaf opened this issue Feb 13, 2016 · 2 comments

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@Luthaf
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Luthaf commented Feb 13, 2016

This is easy: just use the functionalities around to build the hybrid move

@Luthaf
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Luthaf commented Nov 1, 2016

See http://www.sciencedirect.com/science/article/pii/037026938791197X for the paper describing this method.

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Luthaf commented Nov 1, 2016

A question popping into my mind would be: what happens when NVE is performed and temperature drops considerably?

@g-bauer in #51 (comment)

I do not remember, but I have seen this. I'll check my notes tomorrow. I think that this is why you will want to use NVT simulation instead of NVE with the same temperature as the MC simulation. If/when the MD simulation is at equilibrium, the actual potential energy should only fluctuate around the MC energy.

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