LAMMPS (21 May 2008)
Lattice spacing in x,y,z = 35.2 35.2 35.2
Created orthogonal box = (0 0 -0.1) to (7500 750 0.1)
8 by 1 by 1 processor grid
Created 4708 atoms
4708 atoms in group argon
Lattice spacing in x,y,z = 3.52 3.52 3.52
Deleted 185 atoms, new total = 4523
Created 18494 atoms
18494 atoms in group nickel
1 rigid bodies with 18494 atoms
ERROR: Bad principal moments
If I change lattice fir rigid body (for example lattice 5) all is work
That is that error mean and how deal with it?
units real
dimension 2
atom_style atomic
boundary p p p
lattice sq 35.2
region box block 0 7500 0 750 -0.1 0.1 units box
create_box 2 box
create_atoms 1 box
mass 1 49.0
group argon type 1
mass 2 50.0
lattice sq 3.52
region sphere1 sphere 3750 375 0 270 units box
delete_atoms region sphere1
create_atoms 2 region sphere1
velocity argon create 300.0 87287 dist gaussian units box
group nickel type 2
velocity nickel set 0.00325 0.0 0.0 sum yes
pair_style lj/cut 3.4
pair_coeff 1 1 0.238 3.4 3.4
pair_coeff 2 2 0.238 3.5 3.5
pair_coeff 1 2 0.238 6.4 6.4
neighbor 10.0 bin
neigh_modify delay 0
fix 1 argon nve
fix 2 all enforce2d
fix 3 nickel rigid single
dump id all atom 50 dump.body.2D
thermo 1000
timestep 1.5
run 400000