Diffusion lammps (lammm-master-deprecated) Browse

lammps/test/02_commands/in.min-002
e6ac7757a374lammm-master-deprecated

in.min-002
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			timer off
			units lj
			atom_style atomic

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 1 box
			create_atoms 1 box
			mass 1 1.0

			velocity all create 3.0 87287

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin

			displace_atoms all random 0.1 0.1 0.1 12314
			min_style hftn
			thermo 100
			minimize 0.0 0.0 100 1000