forked from lijiext/lammps
Added examples for body rounded/polygon
This commit is contained in:
parent
6b9637eaa3
commit
6438cffa57
|
@ -0,0 +1,32 @@
|
|||
LAMMPS data file for polygons: squares of edge length L: Izz = 1/6mL^2
|
||||
2 atoms
|
||||
2 bodies
|
||||
1 atom types
|
||||
-6 6 xlo xhi
|
||||
-6 6 ylo yhi
|
||||
-0.5 0.5 zlo zhi
|
||||
|
||||
Atoms
|
||||
|
||||
1 1 1 1 0 0 0
|
||||
2 1 1 1 5 1 0
|
||||
|
||||
Bodies
|
||||
|
||||
1 1 19
|
||||
4
|
||||
1 1 2.67 0 0 0
|
||||
-2 -2 0
|
||||
-2 2 0
|
||||
2 2 0
|
||||
2 -2 0
|
||||
0.5
|
||||
2 1 19
|
||||
4
|
||||
1 1 2.67 0 0 0
|
||||
-2 -2 0
|
||||
-2 2 0
|
||||
2 2 0
|
||||
2 -2 0
|
||||
0.5
|
||||
|
|
@ -0,0 +1,56 @@
|
|||
# 2d rounded polygon bodies
|
||||
|
||||
variable r index 3
|
||||
variable steps index 100000
|
||||
variable T index 0.5
|
||||
variable P index 0.2
|
||||
variable seed index 980411
|
||||
|
||||
units lj
|
||||
dimension 2
|
||||
|
||||
atom_style body rounded/polygon 1 6
|
||||
atom_modify map array
|
||||
read_data data.squares
|
||||
|
||||
replicate $r $r 1
|
||||
|
||||
velocity all create $T ${seed} dist gaussian mom yes rot yes
|
||||
|
||||
variable cut_inner equal 0.5
|
||||
variable k_n equal 100
|
||||
variable k_na equal 2
|
||||
variable c_n equal 0.1
|
||||
variable c_t equal 0.1
|
||||
variable mu equal 0.1
|
||||
variable delta_ua equal 0.5
|
||||
|
||||
pair_style body/rounded/polygon ${c_n} ${c_t} ${mu} ${delta_ua} ${cut_inner}
|
||||
pair_coeff * * ${k_n} ${k_na}
|
||||
|
||||
comm_modify vel yes
|
||||
|
||||
neighbor 0.5 bin
|
||||
neigh_modify every 1 delay 0 check yes
|
||||
|
||||
timestep 0.001
|
||||
|
||||
#fix 1 all nve/body
|
||||
#fix 1 all nvt/body temp $T $T 1.0
|
||||
fix 1 all npt/body temp $T $T 1.0 x 0.001 $P 1.0 &
|
||||
y 0.001 $P 1.0 couple xy
|
||||
|
||||
fix 2 all enforce2d
|
||||
|
||||
compute 1 all body/local id 1 2 3
|
||||
dump 1 all local 100000 dump.polygon.* index c_1[1] c_1[2] c_1[3] c_1[4]
|
||||
|
||||
thermo_style custom step ke pe etotal press
|
||||
thermo 1000
|
||||
|
||||
restart 100000 restart1.bin restart2.bin
|
||||
|
||||
#dump 2 all image 10000 image.*.jpg type type zoom 2.0 adiam 1.5 body yes 0 0
|
||||
#dump_modify 2 pad 6
|
||||
|
||||
run ${steps}
|
Loading…
Reference in New Issue