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lammps/examples/dipole/log.dipole.9Jan12.linux.1
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LAMMPS (10 Jan 2012)
# 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 200 dump.dipole id type x y z mux muy muz
run 10000
Memory usage per processor = 3.28198 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 1.0464 on 1 procs for 10000 steps with 200 atoms
Pair time (%) = 0.83996 (80.2713)
Neigh time (%) = 0.0338588 (3.23573)
Comm time (%) = 0.0464656 (4.44051)
Outpt time (%) = 0.0178115 (1.70217)
Other time (%) = 0.108306 (10.3503)
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
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