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Re: [lammps-users] Output using ave/spatial
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Re: [lammps-users] Output using ave/spatial


From: Steve Plimpton <sjplimp@...24...>
Date: Fri, 23 Jun 2017 08:34:29 -0600

These is a 2d Couette flow example script in examples/flow.

I suggest you add commands to compute each quantity
in your list, one at a time.  Start with just instantanoues
values, then worry about time averaging and output the
ave.  For quantities that have spatial dependence, you
will have to use per-atom values (e.g. per-atom stress/pressure)
and spatially average them via fix ave/chunk.

Steve

On Thu, Jun 22, 2017 at 2:20 PM, Roberts, Andrew <A.P.Roberts@...6942.....> wrote:

Hello,


Thanks for everyone who has helped me to get my simulation working. However, now my simulation is working, I wondered if anyone can tell me how to output the following data from LAMMPS, maybe something along the lines of this for velocity in the x-direction?


fix 4 flow ave/spatial 100 10 2000 y 0.0 1.0 vx ave running file vel.profile

Is there an equivalent statement for these quantities for a 2D Couette flow?:

solid volume fraction (-) versus y
velocity fluctuation (m/s) in the x direction versus y
local shear rate (1/s) versus y
pressure (Pa) normal to a moving wall versus x
shear stress (Pa) along a moving wall versus x

Kind regards,

Andrew


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