cmm_cut.fix.in
5870b4fff77blammm-master-deprecated

cmm_cut.fix.in
View Options

			package gpu force 0 0 0.8
			variable x index 1
			variable y index 1
			variable z index 1

			variable xx equal 10*$x
			variable yy equal 10*$y
			variable zz equal 10*$z

			units lj
			atom_style atomic
			newton off
			lattice fcc 0.8442
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			create_box 2 box
			create_atoms 1 box
			set group all type/fraction 2 0.5 14992

			mass 1 1.0
			mass 2 1.1

			velocity all create 1.44 87287 loop geom

			pair_style cg/cmm/gpu 2.5
			pair_coeff 1 1 lj9_6 1.0 1.1
			pair_coeff 1 2 lj12_6 1.1 1.0
			pair_coeff 2 2 lj12_4 1.2 0.9

			neighbor 0.3 bin
			neigh_modify delay 0 every 20 check no

			fix 1 all nve

			timestep 0.003
			thermo 100
			run 400