forked from lijiext/lammps
56 lines
1.1 KiB
Groff
56 lines
1.1 KiB
Groff
|
LAMMPS (9 Jan 2009)
|
||
|
|
# 2d indenter simulation with minimization instead of dynamics
|
||
|
|
|
||
|
|
dimension 2
|
||
|
|
boundary p s p
|
||
|
|
|
||
|
|
atom_style atomic
|
||
|
|
neighbor 0.3 bin
|
||
|
|
neigh_modify delay 5
|
||
|
|
|
||
|
|
# create geometry
|
||
|
|
|
||
|
|
lattice hex 0.9
|
||
|
|
Lattice spacing in x,y,z = 1.1327 1.96189 1.1327
|
||
|
|
region box block 0 20 0 10 -0.25 0.25
|
||
|
|
create_box 2 box
|
||
|
|
Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
|
||
|
|
1 by 1 by 1 processor grid
|
||
|
|
create_atoms 1 box
|
||
|
|
Created 420 atoms
|
||
|
|
|
||
|
|
mass * 1.0
|
||
|
|
|
||
|
|
# LJ potentials
|
||
|
|
|
||
|
|
pair_style lj/cut 2.5
|
||
|
|
pair_coeff * * 1.0 1.0 2.5
|
||
|
|
|
||
|
|
# define groups
|
||
|
|
|
||
|
|
region 1 block INF INF INF 1.25 INF INF
|
||
|
|
group lower region 1
|
||
|
|
60 atoms in group lower
|
||
|
|
group mobile subtract all lower
|
||
|
|
360 atoms in group mobile
|
||
|
|
set group lower type 2
|
||
|
|
60 settings made for type
|
||
|
|
|
||
|
|
# initial velocities
|
||
|
|
|
||
|
|
fix 2 lower setforce 0.0 0.0 0.0
|
||
|
|
|
||
|
|
# indenter
|
||
|
|
|
||
|
|
fix 5 all enforce2d
|
||
|
|
|
||
|
|
# minimize with indenter
|
||
|
|
|
||
|
|
thermo 10
|
||
|
|
|
||
|
|
dump 1 all atom 10 dump.indent
|
||
|
|
dump_modify 1 scale no
|
||
|
|
|
||
|
|
minimize 1.0e-6 1000 1000
|
||
|
|
ERROR: Illegal minimize command
|