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Re: [ESPResSo-users] Van Hove

From: smiatek
Subject: Re: [ESPResSo-users] Van Hove
Date: Tue, 20 Feb 2018 18:11:45 +0100
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Dear Rhys,

you can check the non-Gaussian parameter and have a look at the MSD if there are some caging effects.

Best regards,

Am 2018-02-20 18:05, schrieb Rhys Goodall:

Can I check what the status of the Van Hove analysis feature is?

For my research I need some way to try discern whether the simple
fluids i'm examining with espresso are behaving as a glasses. One way
of doing this that was suggested to me was looking at whether the
intermediate scattering function (FT of Van hove correlation)
plateaued. If the feature is not fully implemented as I think is the
case from the documentation and looking at it can anyone suggest any
ideas by which I may be able to crudely decide if the system might be
behaving in a glassy manner?


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