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Re: [lammps-users] Velocity set
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Re: [lammps-users] Velocity set

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 20 May 2018 09:07:07 -0400

On Sat, May 19, 2018 at 9:52 PM, 709832702 <709832702@...2872.....> wrote:

I try to simulate the irradiation, but there is sth wrong with the velocity, the details please below,

read_data data.Al2O3

region 1 block INF INF INF 22 INF INF units box
region 2 block INF INF 175 INF INF INF units box
region 3 block INF 22 22 175 INF INF units box
region 4 block 177 INF 22 175 INF INF units box

region boundary union 4 1 2 3 4 

group boundary region boundary
group id id 260484

pair_style vashishta
pair_coeff * * Al2O3.vashishta O Al

timestep        0.001

velocity id set 0 0 -1890 sum yes units box
fix 11 boundary nvt temp 1 1 1 drag 1

run 200000

The atom id 260484 is one atom in the surface centre, and i want to give this atom velocity use the common "velocity id set 0 0 -1890 sum yes units box", but i find that there is no speed toward this atom, so could you please help me find the reason? Thanks for your help.

​sounds like you do not apply time integration to the atom where you add the velocity.



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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.