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lammps/examples/dipole/log.dipole.10Sep10.linux.1
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LAMMPS (10 Sep 2010)
# 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/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 = 2.56176 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 -2.8019061 0.19532181 -2.3829095 0.18067142
2000 0.39019935 -2.791487 0.22407032 -2.4032386 -0.40913692
2500 0.40240606 -2.8139309 0.24275491 -2.4135369 -0.33839305
3000 0.41889117 -2.8310674 0.24638389 -2.4142707 -0.071480473
3500 0.41664896 -2.7505011 0.17937876 -2.3359354 -0.34413079
4000 0.4399873 -2.8093287 0.22438034 -2.3715414 -0.16626012
4500 0.43361189 -2.8162656 0.24187231 -2.3848217 0.13489299
5000 0.39259055 -2.7471068 0.21065822 -2.3564792 -0.15485345
5500 0.42121291 -2.7676815 0.21145234 -2.3485747 -0.085961294
6000 0.46934915 -2.8576035 0.26500223 -2.3906011 -0.21441119
6500 0.41344307 -2.7863091 0.2478621 -2.3749333 -0.12807499
7000 0.45597995 -2.7959254 0.22846639 -2.3422254 -0.47086714
7500 0.39910433 -2.7779885 0.25742031 -2.3808797 -0.19465195
8000 0.46690622 -2.7777549 0.19323901 -2.3131832 -0.063292514
8500 0.45022765 -2.814943 0.25463601 -2.3669665 0.15612777
9000 0.47294866 -2.7986322 0.2117454 -2.3280483 0.21776933
9500 0.50062288 -2.8318393 0.22438459 -2.3337195 -0.20077418
10000 0.48531399 -2.8185842 0.23564567 -2.3356968 -0.1417187
Loop time of 1.82464 on 1 procs for 10000 steps with 200 atoms
Pair time (%) = 1.46126 (80.085)
Neigh time (%) = 0.0483015 (2.64718)
Comm time (%) = 0.0753286 (4.12841)
Outpt time (%) = 0.0340953 (1.8686)
Other time (%) = 0.205652 (11.2708)
Nlocal: 200 ave 200 max 200 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 150 ave 150 max 150 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 = 683
Dangerous builds = 0
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