variable sname index Li-dendritic log ${sname}.min.log units electron newton on boundary p p p atom_style hybrid charge electron read_data data.${sname} pair_style eff/cut 50.112 pair_coeff * * communicate single vel yes thermo 10 thermo_style custom step etotal press dump 1 all custom 10 ${sname}.min.lammpstrj id type x y z q spin radius dump 2 all xyz 10 ${sname}.min.xyz min_style cg min_modify line quadratic dmax 2.0 minimize 0.0 1.0e-5 10000 100000