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lammps/examples/dipole/log.dipole.22Jun07.liberty.4
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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)
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 = 2.32239 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 0.43191585 -2.8089326 0.33203347 -2.3802561 -0.16059384
2000 0.43337741 -2.7836977 0.30755109 -2.3535707 -0.050258895
2500 0.41025746 -2.7704617 0.31976882 -2.3632812 -0.040387583
3000 0.4343462 -2.7853843 0.32540887 -2.3542957 -0.040773878
3500 0.4516216 -2.7378372 0.25848559 -2.2896027 0.01498558
4000 0.46812215 -2.7531454 0.25653816 -2.2885341 -0.015167924
4500 0.41857472 -2.7022096 0.27078871 -2.2867742 0.040384474
5000 0.42275097 -2.7173978 0.28129865 -2.2978174 0.08127607
5500 0.39689205 -2.6755268 0.28694074 -2.2816114 -0.063519745
6000 0.40712229 -2.6810855 0.29780556 -2.2770166 -0.010331415
6500 0.42401695 -2.7099716 0.32599472 -2.2891348 -0.080194492
7000 0.46557586 -2.7235207 0.277596 -2.2614366 -0.025483686
7500 0.4634213 -2.7520289 0.33385569 -2.2920833 -0.07670048
8000 0.44330991 -2.6937045 0.28515119 -2.2537194 0.063037221
8500 0.46501497 -2.7192191 0.31059999 -2.2576917 -0.12974997
9000 0.48895857 -2.7113963 0.27823171 -2.2261049 -0.032792109
9500 0.5206475 -2.7393465 0.2997953 -2.2226039 0.15436407
10000 0.47111871 -2.6818528 0.2936091 -2.2142675 -0.18366919
Loop time of 2.70823 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.644681 (23.8045)
Neigh time (%) = 0.0255789 (0.944486)
Comm time (%) = 1.55045 (57.2495)
Outpt time (%) = 0.0430555 (1.5898)
Other time (%) = 0.444467 (16.4117)
Nlocal: 50 ave 53 max 46 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Nghost: 88.75 ave 91 max 86 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs: 402.25 ave 443 max 365 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Total # of neighbors = 1609
Ave neighs/atom = 8.045
Neighbor list builds = 700
Dangerous builds = 0
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