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[lammps-users] About lost atoms using fix wall/srd
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[lammps-users] About lost atoms using fix wall/srd

From: "dry6211@...24..." <dry6211@...24...>
Date: Sun, 19 Nov 2017 20:05:59 +0900

Dear lammps users,

Now I'm simulating srd particles (fix srd) bounded by two walls (fix wall/srd). But no matter how I change the simulation parameters, the atoms will always be lost. The input is as simple as it can be, and it is almost the same as the one in lammps example in.srd.pure. I've also tried to add walls to in.srd.pure, and it runs well. I think the only difference from the example input is my system is 3d rather than 2d. I really don't know how to fix this problem. I've included my input file and your help will be greatly appreciated.

Thank you in advance!

Ruoyu Dong


units lj
atom_style atomic
atom_modify first empty
dimension 3
boundary    p p f

region 1 block -5 5 -5 5 -6 6
create_box 1 1

region 2 block -5 5 -5 5 -5 5
lattice fcc 320.0
create_atoms 1 region 2

mass 1 0.01
velocity all create 1.0 593849 loop geom
group empty type 2

# SRD run

neighbor 0.3 bin
neigh_modify delay 1 every 1 check no

comm_modify group empty

fix     2 all srd 1 NULL 1.0 0.25 49894 collision slip shift possible 23597 tstat yes
fix     3 all wall/srd zlo EDGE zhi EDGE

thermo_modify flush yes
thermo 10000
timestep 0.02

run 10000000