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Re: [lammps-users] Define average density during simulation
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Re: [lammps-users] Define average density during simulation


From: alberto <voodoo.bender@...24...>
Date: Thu, 22 Jun 2017 16:17:44 +0200

Hi,

I define a variable
variable    dal equal atoms/vol
and I use fix ave/time as

fix   avload all ave/time 1 100000 1 v_dal ave one,  where 100000 is the total steps of my simulation
but I obtain message error

ERROR: Illegal fix ave/time command

Al

2017-06-21 16:20 GMT+02:00 Steve Plimpton <sjplimp@...24...>:
The fix ave/time command can do averaging with a moving window or cummulative
ave, see its doc page and keywords.

Steve

On Tue, Jun 20, 2017 at 2:15 PM, alberto <voodoo.bender@...24...> wrote:
Hi,
during a gcmc simulation, I produce density of gas per step. I would produce other column with the average density for every n-th step: for second step the average between the first and second, the third as the average between the first, the second, the third, and so on.
I'm a young user of lammps, and on manual I found the keyword fix ave/time command. It's a good idea to produce the results that I wish, or exist other procedure, or it's not possible during lammps run?

Regards 

Al

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