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[lammps-users] The whole system will rotate around Z axis
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[lammps-users] The whole system will rotate around Z axis


From: Asadollahzadeh <niliasadollahzadeh@...24...>
Date: Thu, 29 Jun 2017 17:32:06 +0430

I am using LAMMPS to simulate an  eam  system recently. I have met a problem. 
When I used boundary as "s s p", the whole system will rotate. 
I had use the commands:

echo                 both
units                 metal
atom_style       atomic
boundary          s s p
timestep           0.001

region               simbox block -300 300 -300 300 -300 300   units box
create_box      2 simbox

lattice              fcc 4.0500
region             cube block -30 30 -30 30 -30 30 units box
create_atoms 1 region cube
set                    group all type/fraction 2 1 12393 
mass         1 63.546
mass 2 26.9815

pair_style      eam/alloy
pair_coeff * * AlCu.eam.alloy Cu Al 

#################### Equilibriation ####################

min_style        cg
minimize         1.0e-8 1.0e-8 1000 10000

velocity all create 100 49284121 mom yes rot yes 

fix              0  all nvt temp 100 100 0.1
thermo            1000
thermo_style      custom step temp pe ke etotal
dump              000   all     custom    1000    dumpequilibration.lammpstrj id  type x  y  z
reset_timestep    0
run               100000
unfix             0

##############################################################################




May anyone give some advice to make the system not rotate?
Thank you in advance.

regards,
Nili