Diffusion lammps (efficient_neuronet) Browse

lammps/regtest/setup/in.empty
0f4a27ad8babefficient_neuronet

in.empty
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			atom_style atomic

			units lj
			atom_style atomic
			atom_modify sort 0 0.2

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 1 box
			mass 1 1.0
			fix 1 all nve

			minimize 0.001 0.0001 1000.0 10000.0

			run 10

			run_style respa 1

			run 10