forked from lijiext/lammps
86 lines
1.9 KiB
Plaintext
86 lines
1.9 KiB
Plaintext
# Simple rigid body system
|
|
|
|
units lj
|
|
atom_style atomic
|
|
atom_modify map array
|
|
|
|
pair_style lj/cut 2.5
|
|
|
|
fix 0 all property/atom i_bodies
|
|
|
|
read_data data.rigid-property fix 0 NULL Bodies
|
|
|
|
velocity all create 100.0 4928459
|
|
|
|
|
|
# unconnected bodies
|
|
|
|
group clump1 id <> 1 9
|
|
group clump2 id <> 10 18
|
|
group clump3 id <> 19 27
|
|
group clump4 id <> 28 36
|
|
group clump5 id <> 37 45
|
|
group clump6 id <> 46 54
|
|
group clump7 id <> 55 63
|
|
group clump8 id <> 64 72
|
|
group clump9 id <> 73 81
|
|
|
|
# assemble bodies from per-atom custom integer property bodies
|
|
fix 1 all rigid custom i_bodies
|
|
|
|
# 1 chain of connected bodies
|
|
|
|
#group clump1 id <> 1 9
|
|
#group clump2 id <> 9 18
|
|
#group clump3 id <> 18 27
|
|
#group clump4 id <> 27 36
|
|
#group clump5 id <> 36 45
|
|
#group clump6 id <> 45 54
|
|
#group clump7 id <> 54 63
|
|
#group clump8 id <> 63 72
|
|
#group clump9 id <> 72 81
|
|
|
|
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
|
|
# clump6 clump7 clump8 clump9
|
|
|
|
# 2 chains of connected bodies
|
|
|
|
#group clump1 id <> 1 9
|
|
#group clump2 id <> 9 18
|
|
#group clump3 id <> 18 27
|
|
#group clump4 id <> 27 36
|
|
#group clump5 id <> 37 45
|
|
#group clump6 id <> 45 54
|
|
#group clump7 id <> 54 63
|
|
#group clump8 id <> 63 72
|
|
#group clump9 id <> 72 81
|
|
|
|
#fix 1 all poems group clump1 clump2 clump3 clump4
|
|
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
|
|
|
neigh_modify exclude group clump1 clump1
|
|
neigh_modify exclude group clump2 clump2
|
|
neigh_modify exclude group clump3 clump3
|
|
neigh_modify exclude group clump4 clump4
|
|
neigh_modify exclude group clump5 clump5
|
|
neigh_modify exclude group clump6 clump6
|
|
neigh_modify exclude group clump7 clump7
|
|
neigh_modify exclude group clump8 clump8
|
|
neigh_modify exclude group clump9 clump9
|
|
|
|
thermo 100
|
|
|
|
#dump 1 all atom 50 dump.rigid
|
|
|
|
#dump 2 all image 100 image.*.jpg type type &
|
|
# axes yes 0.8 0.02 view 60 -30
|
|
#dump_modify 2 pad 5
|
|
|
|
#dump 3 all movie 100 movie.mpg type type &
|
|
# axes yes 0.8 0.02 view 60 -30
|
|
#dump_modify 3 pad 5
|
|
|
|
timestep 0.0001
|
|
thermo 50
|
|
run 10000
|