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lammps/examples/dipole/log.dipole.22Jun07.linux.1
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LAMMPS (22 June 2007)
# Point dipoles in a 2d box
units lj
atom_style 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 processor grid
create_atoms 1 box
Created 200 atoms
mass 1 1.0
shape 1 1 1 1
dipole 1 0.75
set group all dipole/random 98934
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/dipole
fix 2 all enforce2d
timestep 0.005
thermo_style dipole
thermo 500
dump 1 all custom 200 dump.dipole tag type x y z mux muy muz
run 10000
Memory usage per processor = 2.33154 Mbytes
Step Temp E_pair RotKEdip TotEng Press
0 0 -2.1284412 0 -2.1284412 -0.98973217
500 0.38229437 -2.703408 0.24548268 -2.3239808 -0.073894217
1000 0.41156476 -2.7426733 0.25757681 -2.3341953 0.05919685
1500 0.43191583 -2.8089326 0.33203347 -2.3802561 -0.16059384
2000 0.43342192 -2.7837445 0.30758527 -2.3535733 -0.050298945
2500 0.40678173 -2.7608212 0.32070295 -2.3570903 -0.066209676
3000 0.44085008 -2.7740637 0.3050664 -2.33652 -0.033394791
3500 0.44821249 -2.7478981 0.27867563 -2.3030472 0.0084562338
4000 0.45333935 -2.7563404 0.3084146 -2.3064011 -0.10934119
4500 0.45156284 -2.723795 0.27757494 -2.2756189 -0.23949041
5000 0.48926457 -2.7653696 0.29559023 -2.2797745 0.038474281
5500 0.47000827 -2.7286039 0.28271513 -2.2621207 -0.01679705
6000 0.49865525 -2.7247669 0.24383453 -2.2298516 -0.028697894
6500 0.46877605 -2.6998151 0.25730063 -2.2345548 -0.034887111
7000 0.38249447 -2.6298198 0.31407559 -2.250194 0.010153416
7500 0.4674564 -2.667655 0.25360513 -2.2037046 -0.14832
8000 0.46214985 -2.6953164 0.31284004 -2.2366327 -0.13077442
8500 0.45348969 -2.6629085 0.30178085 -2.21282 0.014011681
9000 0.45748811 -2.6903116 0.33394285 -2.2362547 -0.093496105
9500 0.49014698 -2.7127804 0.32910939 -2.2263096 -0.013973624
10000 0.39914132 -2.6368493 0.35529835 -2.2407016 -0.12272941
Loop time of 6.7855 on 1 procs for 10000 steps with 200 atoms
Pair time (%) = 5.39439 (79.4989)
Neigh time (%) = 0.164115 (2.41861)
Comm time (%) = 0.264522 (3.89834)
Outpt time (%) = 0.1165 (1.7169)
Other time (%) = 0.845967 (12.4673)
Nlocal: 200 ave 200 max 200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 144 ave 144 max 144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1615 ave 1615 max 1615 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1615
Ave neighs/atom = 8.075
Neighbor list builds = 697
Dangerous builds = 0
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