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) 1 by 1 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 = 3.28656 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 0.39019973 -2.7914873 0.22407026 -2.4032386 -0.40914143 2500 0.40242274 -2.8142159 0.24281467 -2.4138053 -0.3391299 3000 0.42771065 -2.8535488 0.25848739 -2.4279767 -0.2500108 3500 0.44706195 -2.7890555 0.18446345 -2.3442289 -0.1005632 4000 0.4041733 -2.7741037 0.22161024 -2.3719512 -0.13373446 4500 0.47549052 -2.8368758 0.21740299 -2.3637627 -0.14246916 5000 0.42071015 -2.7518085 0.20821432 -2.3332019 -0.047522754 5500 0.43520504 -2.8042986 0.24366805 -2.3712696 -0.22180582 6000 0.42802195 -2.7822398 0.24060881 -2.3563579 -0.35350862 6500 0.4479767 -2.8175363 0.25806495 -2.3717994 0.07885849 7000 0.39538519 -2.7246562 0.23766993 -2.331248 -0.098542228 7500 0.40716663 -2.7115371 0.21917238 -2.3064063 -0.14844207 8000 0.42814546 -2.7318282 0.23188976 -2.3058235 -0.37209482 8500 0.46175735 -2.7607768 0.23020837 -2.3013282 -0.33381513 9000 0.48360992 -2.758533 0.21927619 -2.2773411 -0.016767257 9500 0.47646809 -2.7812073 0.24046809 -2.3071216 -0.12582235 10000 0.48207466 -2.7437285 0.20973254 -2.2640642 0.51612253 Loop time of 1.02845 on 1 procs for 10000 steps with 200 atoms Pair time (%) = 0.837266 (81.4103) Neigh time (%) = 0.0349927 (3.40246) Comm time (%) = 0.0476522 (4.6334) Outpt time (%) = 0.000173092 (0.0168303) Other time (%) = 0.108368 (10.537) Nlocal: 200 ave 200 max 200 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 158 ave 158 max 158 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1673 ave 1673 max 1673 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1673 Ave neighs/atom = 8.365 Neighbor list builds = 679 Dangerous builds = 0