variable	sname index lishock

units 		electron
newton	        on	
boundary	s p p

atom_style	hybrid charge electron

read_data  	data.${sname}
#read_restart	${sname}.nve.restart1

pair_style      eff/cut 12.528 
pair_coeff	* * 

communicate	single vel yes

timestep        0.005

fix             1 all nve/eff

thermo          1000
thermo_style    custom step etotal temp press

restart         1000 ${sname}.nve.restart1 ${sname}.nve.restart2
compute         peatom all pe/atom 
compute         keatom all ke/atom/eff
dump            1 all custom 1000 ${sname}.nve.lammpstrj id type x y z spin radius vx vy vz vr c_keatom c_peatom

run             1500000

unfix           1
undump          1