# 2d Lennard-Jones melt units lj atom_style atomic dimension 2 lattice sq 0.5 region box block 0 50 0 50 -0.5 0.5 create_box 1 box create_atoms 1 box mass 1 1.0 velocity all create 1.44 87287 loop geom pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 20 check no fix 1 all nve fix 2 all enforce2d # load balancing comm_style tiled fix 100 all balance 100 0.9 rcb # fix ave/grid fix ave all ave/grid 10 10 100 10 10 1 vx vy # dump grid compute ave all property/grid 10 10 1 id ix iy #dump ave all grid 100 tmp.dump.2d & # c_ave:grid:data[*] f_ave:grid:count f_ave:grid:data[*] #dump_modify ave sort 1 #dump vtk1 all grid/vtk 100 tmp.dump1.2d.*.vtr f_ave:grid:count #dump vtk2 all grid/vtk 100 tmp.dump2.2d.*.vtr f_ave:grid:data[2] #dump 10 all image 100 tmp.image.*.2d.png type type & # zoom 1.6 grid f_ave:grid:count adiam 0.6 shiny 0.0 & # subbox yes 0.01 # run thermo 100 run 500