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lammps/examples/dipole/log.dipole.5Oct07.linux.4
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LAMMPS (5 Oct 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)
2 by 2 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 = 2.20859 Mbytes
Step Temp E_pair RotKEdip TotEng Press
0 0 -2.0679113 0 -2.0679113 -2.4458727
500 0.42039344 -2.7551929 0.33950039 -2.3379524 -0.48061665
1000 0.50878493 -2.8017526 0.2992614 -2.2967836 -0.25867639
1500 0.45960021 -2.7310538 0.29336781 -2.2749006 -0.32178992
2000 0.4735965 -2.7447711 0.30086891 -2.2747266 -0.17123827
2500 0.42826776 -2.6852885 0.2911867 -2.2602327 -0.30919753
3000 0.50793244 -2.732024 0.26186311 -2.227901 -0.43700008
3500 0.44936306 -2.7048124 0.31873031 -2.2588195 -0.39259989
4000 0.47511487 -2.679565 0.26814249 -2.2080134 -0.31609374
4500 0.46967633 -2.7065631 0.32776671 -2.2404094 -0.25362701
5000 0.49764216 -2.6821313 0.28037266 -2.1882215 0.072700928
5500 0.47400335 -2.6210554 0.25305638 -2.1506071 0.082276355
6000 0.53273657 -2.6862006 0.28126425 -2.1574595 -0.2898968
6500 0.55067016 -2.7128141 0.30635684 -2.166274 -0.27917255
7000 0.50656861 -2.6772754 0.32697465 -2.1745061 0.045617257
7500 0.48505179 -2.6707057 0.3522519 -2.1892918 0.20518305
8000 0.48530142 -2.6555882 0.35880558 -2.1739265 -0.009735365
8500 0.49628102 -2.6415772 0.34052186 -2.1490183 -0.20832079
9000 0.53812714 -2.6452393 0.29587662 -2.1111481 0.17270699
9500 0.51178398 -2.6384404 0.33284132 -2.1304948 0.13586996
10000 0.47827283 -2.5522408 0.28267922 -2.077555 0.015905654
Loop time of 4.85885 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.452714 (9.31732)
Neigh time (%) = 0.0164055 (0.337641)
Comm time (%) = 3.28756 (67.6613)
Outpt time (%) = 0.177048 (3.64382)
Other time (%) = 0.925118 (19.0399)
Nlocal: 50 ave 53 max 43 min
Histogram: 1 0 0 0 0 0 0 0 0 3
Nghost: 89.75 ave 94 max 87 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Neighs: 404.75 ave 457 max 332 min
Histogram: 1 0 0 0 0 0 2 0 0 1
Total # of neighbors = 1619
Ave neighs/atom = 8.095
Neighbor list builds = 717
Dangerous builds = 0
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