in.h_atom.min
ef3307c36988lammm-master

in.h_atom.min
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			variable sname index h_atom
			log ${sname}.min.log

			units electron
			newton on
			boundary f f f

			atom_style electron

			read_data data.${sname}

			pair_style eff/cut 10.0 0 0
			pair_coeff * *

			communicate single vel yes

			compute effTemp all temp/eff

			thermo 1
			thermo_style multi
			thermo_modify temp effTemp

			dump 1 all xyz 1 ${sname}.min.xyz
			dump 2 all custom 1 ${sname}.min.lammpstrj id type x y z eradius
			dump 3 all custom 1 ${sname}.min.forces id type fx fy fz erforce

			min_style cg
			min_modify line quadratic dmax 2.0
			minimize 1.0e-4 1.0e-4 1000 100000