5e740c9cc5
- rename example folder - remove .txt format docs - remove obsolete fix active sources - update readme in src/USER-MISC - replace non-ASCII characters and fix spelling issues
55 lines
1015 B
Plaintext
55 lines
1015 B
Plaintext
dimension 2
|
|
boundary p p p
|
|
|
|
variable L equal 20
|
|
region total block -$L $L -$L $L -0.5 0.5
|
|
lattice hex 0.3
|
|
create_box 2 total
|
|
create_atoms 1 box
|
|
|
|
# Set random fraction to passive:
|
|
set type 1 type/fraction 2 0.5 1337
|
|
|
|
# Purely repulsive particles:
|
|
variable rc equal "2^(1.0/6.0)"
|
|
pair_style lj/cut ${rc}
|
|
pair_coeff * * 1.0 1.0
|
|
pair_modify shift yes
|
|
|
|
mass * 1.0
|
|
|
|
fix step all nve
|
|
fix temp all langevin 1.0 1.0 1.0 13
|
|
fix twod all enforce2d
|
|
|
|
neighbor 0.6 bin
|
|
|
|
dump traj all custom 250 2d_active.dump.bin id type x y z
|
|
|
|
thermo_style custom time step pe ke etotal temp
|
|
thermo 1000
|
|
run 5000
|
|
|
|
group one type 1
|
|
group two type 2
|
|
|
|
compute ke1 one ke
|
|
compute ke2 two ke
|
|
|
|
thermo_style custom step pe ke etotal temp c_ke1 c_ke2
|
|
|
|
fix active all propel/self velocity 1.0
|
|
|
|
# With active force there is more motion so increase bin size:
|
|
neighbor 1.0 bin
|
|
run 10000
|
|
|
|
# Only make type 1 active:
|
|
fix active all propel/self velocity 1.0 types 1
|
|
|
|
# With active force there is more motion so increase bin size:
|
|
neighbor 1.0 bin
|
|
run 10000
|
|
|
|
|