# Pour 2d granular particles into container

dimension	2
atom_style	sphere
atom_modify     map array
boundary	f fm p
newton		off
comm_modify	vel yes cutoff 2.5

fix             prop all property/atom mol ghost yes

region		reg block 0 100 0 50 -0.5 0.5 units box
create_box	1 reg

neighbor	0.2 bin
neigh_modify	delay 0

# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).

pair_style      gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
pair_coeff	* *

timestep	0.001

fix		2 all gravity 1.0 spherical 0.0 -180.0
fix		xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 &
		xplane 0 100
fix		ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 &
		yplane 0 NULL

molecule        object molecule.vshape
fix             3 all rigid/small molecule mol object

# insure region size + molecule size does not overlap wall

region          slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
fix             ins all pour 500 0 4767548 vol 0.8 10 &
	        region slab mol object rigid 3

fix             4 all enforce2d

compute		1 all erotate/sphere
compute         Tsphere all temp/sphere
thermo_style	custom step atoms ke c_1 vol
thermo_modify	lost ignore norm no temp Tsphere
compute_modify	Tsphere dynamic yes

thermo		1000

#dump		id all atom 100 tmp.dump

#variable        colors string &
#                "red green blue yellow white &
#                purple pink orange lime gray"
#variable	mol2 atom mol%10
#dump		2 all image 250 image.*.jpg v_mol2 type &
#		zoom 1.6 adiam 1.5
#dump_modify	2 pad 5 amap 0 10 sa 1 10 ${colors}

#variable        colors string &
#                "red green blue yellow white &
#                purple pink orange lime gray"
#variable	mol3 atom mol%10
#dump		3 all movie 250 movie.mpg v_mol3 type &
#		zoom 1.6 adiam 1.5
#dump_modify	3 pad 5 amap 0 10 sa 1 10 ${colors}

run	        25000
