in.respa-002
6e53fc9e7dcdlammm-devel

in.respa-002
View Options

			# 3d Lennard-Jones melt

			if $(is_active(pair,respa) == 0) then "quit 0"

			timers 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 1.44 87287 loop geom

			pair_style lj/cut 5.0
			pair_coeff 1 1 1.0 1.0

			neighbor 0.3 bin
			neigh_modify every 4 delay 0 check no

			fix 1 all nve

			run_style respa 2 1 inner 1 2.0 2.6 outer 1
			timestep 0.001

			thermo 40

			info all
			run 200