LAMMPS (18 Feb 2013) # Point dipoles in a 2d box units lj atom_style hybrid sphere dipole dimension 2 lattice sq2 0.7 Lattice spacing in x,y,z = 1.69031 1.69031 1.69031 region box block 0 10 0 10 -0.5 0.5 create_box 1 box Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154) 2 by 2 by 1 MPI processor grid create_atoms 1 box Created 200 atoms # need both mass settings due to hybrid atom style mass 1 1.0 set group all mass 1.0 200 settings made for mass set group all dipole/random 98934 0.75 200 settings made for dipole/random velocity all create 0.0 87287 mom no pair_style dipole/cut 2.5 pair_coeff * * 1.0 1.0 neighbor 0.3 bin neigh_modify delay 0 fix 1 all nve/sphere update dipole fix 2 all enforce2d timestep 0.005 compute erot all erotate/sphere thermo_style custom step temp epair c_erot etotal press thermo 500 #dump 1 all custom 500 dump.dipole id type x y z mux muy #dump 1 all image 250 image.*.jpg mux type # zoom 1.6 adiam 1.2 #dump_modify 1 pad 5 run 10000 Memory usage per processor = 3.28531 Mbytes Step Temp E_pair erot TotEng Press 0 0 -2.1909822 0 -2.1909822 -2.5750971 500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899 1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606 1500 0.42110221 -2.8019062 0.19532181 -2.3829095 0.18067141 2000 0.39019968 -2.7914873 0.22407029 -2.4032386 -0.4091395 2500 0.40237391 -2.8138968 0.24276582 -2.4135348 -0.33901619 3000 0.42595202 -2.8621684 0.26812111 -2.4383462 -0.19493812 3500 0.41153448 -2.8070419 0.23860803 -2.397565 -0.032395966 4000 0.40867238 -2.7790568 0.22331133 -2.3724278 0.014462986 4500 0.39803378 -2.7718651 0.23536245 -2.3758215 -0.25429533 5000 0.42736901 -2.8476039 0.2824171 -2.4223718 0.12187395 5500 0.41115816 -2.7810177 0.24508517 -2.3719153 -0.1925336 6000 0.43184788 -2.8015292 0.24726776 -2.3718406 -0.014489672 6500 0.45955478 -2.8340069 0.26105652 -2.3767499 -0.16015969 7000 0.43826613 -2.7488226 0.20031236 -2.3127478 0.071480756 7500 0.45738321 -2.7892162 0.23337255 -2.3341199 -0.17245012 8000 0.46107991 -2.7322063 0.18569571 -2.2734318 -0.21563894 8500 0.40367385 -2.7623279 0.27023252 -2.3606724 -0.038576129 9000 0.43104207 -2.7672424 0.25452132 -2.3383555 0.044351007 9500 0.38924411 -2.7231541 0.24926613 -2.3358562 -0.21910634 10000 0.44421944 -2.7677489 0.23376321 -2.3257506 0.034770807 Loop time of 0.47903 on 4 procs for 10000 steps with 200 atoms Pair time (%) = 0.216013 (45.0939) Neigh time (%) = 0.00924784 (1.93053) Comm time (%) = 0.190206 (39.7065) Outpt time (%) = 0.000464082 (0.0968794) Other time (%) = 0.0630991 (13.1723) Nlocal: 50 ave 55 max 41 min Histogram: 1 0 0 0 0 0 1 0 0 2 Nghost: 87.75 ave 92 max 78 min Histogram: 1 0 0 0 0 0 0 1 0 2 Neighs: 415 ave 481 max 301 min Histogram: 1 0 0 0 0 0 1 0 0 2 Total # of neighbors = 1660 Ave neighs/atom = 8.3 Neighbor list builds = 671 Dangerous builds = 0