			units metal
			atom_style atomic


			read_data atoms_small.dat

			mass 1 1.0
			mass 2 1.0
			mass 3 1.0

			pair_style cneuronet
			pair_coeff * * in.const.NN in.params.NN

			neighbor 0.3 bin

			compute 1 all pe
			variable pppp equal c_1
			fix 1 all nve
			fix 2 all print 10 "potential energy ${pppp}"
			dump 1 all custom 1 dump.out id xs ys zs fx fy fz
			run 20
			#run 2

lammps/examples/larger_neuronet/in.run_c
13bc8ff59733lammm-devel

in.run_c
View Options