#Pour composite granular particles on flat wall

newton		on
atom_style	sphere
atom_modify	map array sort 0 0

thermo_modify	flush yes
units 		si  

variable	minrad equal 0.5
variable	maxrad equal 1.4

variable 	skin equal 0.3*${maxrad}

boundary	p p f
region		reg block 0 20 0 20 0 200 units box
create_box	1 reg

fix             prop all property/atom mol ghost yes

variable	dumpfreq equal 1000
variable	logfreq equal 1000

pair_style	gran/hooke/history 4e5 NULL 1e2 NULL 0.5 0
pair_coeff	* *

timestep 	0.0001

group		particles type 1
atom_modify     first particles

neighbor        ${skin} bin
group		rigid type 1
neigh_modify	every 1 delay 0 check yes exclude molecule/intra all 

thermo 		${logfreq}
thermo_style	custom step cpu atoms ke
thermo_modify	flush yes lost warn

comm_modify	vel yes cutoff 3

molecule	mymol molecule.data
region		pourreg block 5 15 5 15 80 100 side in units box

#Note: in versions prior to 1/2020, the 'disable' keyword to fix/gravity
# and the 'gravity' keyword to fix rigid/small were not available.
# These settings produce undesirable behavior, where gravity can induce
# torque on rigid bodies.
#fix		gravfix all gravity 9.8 vector 0 0 -1 #disable
#fix		rigidfix all rigid/small molecule mol mymol #gravity gravfix

#The correct behavior is recovered with the following settings:
fix		gravfix all gravity 9.8 vector 0 0 -1 disable
fix		rigidfix all rigid/small molecule mol mymol gravity gravfix

fix		pourfix all pour 5 0 1234 region pourreg mol mymol rigid rigidfix

fix		zwall all wall/gran hooke/history 4000.0 NULL 100.0 NULL 0.5 0 zplane 0.1 NULL

#dump		1 all custom 1000 molecule_pour.dump id type mass radius x y z fx fy fz

run		100000