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lammps/examples/dipole/log.dipole.21May08.linux.4
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LAMMPS (21 May 2008)
# 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/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 tag type x y z mux muy muz
run 10000
Memory usage per processor = 2.55191 Mbytes
Step Temp E_pair erot TotEng Press
0 0 -2.1909822 0 -2.1909822 -2.5750971
500 0.34147461 -2.7418258 0.19338547 -2.4020585 -0.8249727
1000 0.40747968 -2.8229537 0.21834492 -2.4175114 -0.38840717
1500 0.46154713 -2.8375913 0.18215384 -2.3783519 -0.53206031
2000 0.42597513 -2.8139804 0.19520391 -2.3901351 0.25133976
2500 0.40224412 -2.8042036 0.20729219 -2.4039707 -0.13768351
3000 0.44950081 -2.8607567 0.2163603 -2.4135034 -0.37718214
3500 0.42561192 -2.8200273 0.20127716 -2.3965435 -0.2446625
4000 0.38695908 -2.7984855 0.23451044 -2.4134612 -0.085904856
4500 0.39315776 -2.7972983 0.24188008 -2.4061063 -0.1483928
5000 0.43431963 -2.7938176 0.1924971 -2.3616696 0.16044322
5500 0.53852608 -2.8823448 0.19537417 -2.3465113 0.14220621
6000 0.50125727 -2.8270371 0.18662068 -2.3282861 -0.12637044
6500 0.42401402 -2.7997548 0.24141194 -2.3778609 -0.016170475
7000 0.40501108 -2.7515392 0.22505849 -2.3485531 -0.2059805
7500 0.48308411 -2.8009045 0.19665048 -2.3202358 0.10495345
8000 0.48408101 -2.8505581 0.24762262 -2.3688975 -0.092482458
8500 0.40591248 -2.7151281 0.20375135 -2.3112452 -0.43234161
9000 0.44299739 -2.7437233 0.20190578 -2.3029409 0.17321304
9500 0.44248616 -2.7891931 0.26840058 -2.3489194 -0.34093083
10000 0.46831122 -2.7619603 0.21675378 -2.2959906 0.06991871
Loop time of 4.52779 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.408237 (9.01626)
Neigh time (%) = 0.0151789 (0.335238)
Comm time (%) = 3.24156 (71.5926)
Outpt time (%) = 0.0510209 (1.12684)
Other time (%) = 0.811791 (17.9291)
Nlocal: 50 ave 53 max 45 min
Histogram: 1 0 0 0 0 0 1 0 1 1
Nghost: 88.75 ave 92 max 84 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Neighs: 411.5 ave 439 max 344 min
Histogram: 1 0 0 0 0 0 0 0 1 2
Total # of neighbors = 1646
Ave neighs/atom = 8.23
Neighbor list builds = 690
Dangerous builds = 0
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