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Re: [ESPResSo] integration steps

From: Tristan Bereau
Subject: Re: [ESPResSo] integration steps
Date: Thu, 11 Nov 2010 13:29:07 -0500
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 Hi Mikheil,

It seems that [setmd time] will do the job (from the TCL interface). The corresponding C variable is 'sim_time' (look at global.c and integrate.c).


On 11/11/2010 12:54 PM, Mikheil Azatov wrote:
Hi Espresso users,

I wanted to ask if there is a variable in Espresso that has a value of time passed or number of integration steps passed. I'm implementing a Monte Carlo scheme inside the simulation( in forces_calc() in forces.c ) and I need to apply it only once in every N integration steps.

Mikheil Azatov
University of Maryland

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