# GayBerne ellipsoids in LJ background fluid

units	     lj

atom_style   ellipsoid

dimension    2

lattice	     sq 0.02

region	     box block 0 20 0 20 -0.5 0.5

create_box   2 box

create_atoms 1 box

set	     group all type/fraction 2 0.1 95392

set	     group all quat/random 18238

mass	     1 1.0

mass	     2 1.5

shape	     1 1 1 1

shape	     2 3 1 1

compute	     rot all temp/asphere

velocity     all create 2.4 87287 loop geom

pair_style   gayberne 1.0 3.0 1.0 4.0

pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5

pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0

pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0

#pair_style   resquared 4.0

#pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5

#pair_coeff   1 2 3.0 1 1 1 1 0 0 0

#pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0

neighbor     0.8 bin

thermo_style custom step c_rot epair etotal press vol

thermo	     100

timestep     0.002

dump	     1 all custom 100 dump.gayberne &

	     tag type x y z quatw quati quatj quatk

#dump	     1 all custom 100 dump.resquared &

#	     tag type x y z quatw quati quatj quatk

fix	     1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0

fix	     2 all enforce2d

# equilibrate to shrink box around dilute system

run	     2000

# run dynamics on dense system

unfix	     1

fix	     1 all nve/asphere

run	     2000

# RESquared ellipsoids in LJ background fluid

units	     lj

atom_style   ellipsoid

dimension    2

lattice	     sq 0.02

region	     box block 0 20 0 20 -0.5 0.5

create_box   2 box

create_atoms 1 box

set	     group all type/fraction 2 0.1 95392

set	     group all quat/random 18238

mass	     1 1.0

mass	     2 1.5

shape	     1 1 1 1

shape	     2 3 1 1

compute	     rot all temp/asphere

velocity     all create 2.4 87287 loop geom

#pair_style   gayberne 1.0 3.0 1.0 4.0

#pair_coeff   1 1 3.0 1.0 1 1 1 1 1 1 2.5

#pair_coeff   1 2 3.0 1.0 1 1 1 0 0 0

#pair_coeff   2 2 1.0 1.0 1 1 0.2 0 0 0

pair_style   resquared 4.0

pair_coeff   1 1 3.0 1 1 1 1 1 1 1 2.5

pair_coeff   1 2 3.0 1 1 1 1 0 0 0

pair_coeff   2 2 1.0 1 1 1 0.2 0 0 0

neighbor     0.8 bin

thermo_style custom step c_rot epair etotal press vol

thermo	     100

timestep     0.002

#dump	     1 all custom 100 dump.gayberne &

#	     tag type x y z quatw quati quatj quatk

dump	     1 all custom 100 dump.resquared &

	     tag type x y z quatw quati quatj quatk

fix	     1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0

fix	     2 all enforce2d

# equilibrate to shrink box around dilute system

run	     2000

# run dynamics on dense system

unfix	     1

fix	     1 all nve/asphere

run	     2000