git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1970 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -40,6 +40,7 @@ min: energy minimization of 2d LJ melt
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nemd: non-equilibrium MD of 2d sheared system
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obstacle: flow around two voids in a 2d channel
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peptide: dynamics of a small solvated peptide chain (5-mer)
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peri: Peridynamic model of cylinder impacted by indenter
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pour: pouring of granular particles into a 3d box, then chute flow
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rigid: rigid bodies modeled as independent or coupled
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shear: sideways shear applied to 2d solid, with and without a void
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35
examples/peri/in.peri
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35
examples/peri/in.peri
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@ -0,0 +1,35 @@
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# small Peridynamic cylinder hit by projectile
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units si
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boundary s s s
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atom_style peri
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atom_modify map array
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neighbor 0.0010 bin
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# small target
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lattice sc 0.0005
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region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box
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create_box 1 target
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create_atoms 1 region target
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pair_style peri/pmb
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pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25
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set group all density 2200
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set group all volume 1.25e-10
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velocity all set 0.0 0.0 0.0 sum no units box
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fix 1 all nve
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# spherical indenter to shatter target
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fix 2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 &
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vel 0.0 -100.0 0.0 units box
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compute 1 all damage/atom
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timestep 1.0e-7
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thermo 100
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dump 1 all custom 100 dump.peri tag type x y z c_1
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run 1000
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78
examples/peri/log.peri.21May08.linux.1
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78
examples/peri/log.peri.21May08.linux.1
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@ -0,0 +1,78 @@
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LAMMPS (21 May 2008)
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# small Peridynamic cylinder hit by projectile
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units si
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boundary s s s
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atom_style peri
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atom_modify map array
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neighbor 0.0010 bin
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# small target
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lattice sc 0.0005
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Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
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region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box
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create_box 1 target
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Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
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1 by 1 by 1 processor grid
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create_atoms 1 region target
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Created 3487 atoms
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pair_style peri/pmb
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pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25
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set group all density 2200
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3487 settings made for density
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set group all volume 1.25e-10
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3487 settings made for volume
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velocity all set 0.0 0.0 0.0 sum no units box
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fix 1 all nve
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# spherical indenter to shatter target
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fix 2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 vel 0.0 -100.0 0.0 units box
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compute 1 all damage/atom
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timestep 1.0e-7
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thermo 100
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dump 1 all custom 100 dump.peri tag type x y z c_1
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run 1000
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Peridynamic bonds:
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total # of bonds = 335966
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bonds/atom = 96.3482
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Memory usage per processor = 24.1148 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 0 0 0 0 0 5.41008e-07
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100 1.7890585e+24 0 0 129159.67 5.9057929e+14 5.41008e-07
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200 1.3549879e+27 0 0 97822279 3.8202532e+14 5.9404973e-07
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300 3.3009625e+27 865379.51 0 2.3917576e+08 -1.552503e+15 8.6166616e-07
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400 3.815184e+27 24236.443 0 2.7545843e+08 -1.49454e+15 1.0705801e-06
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500 4.2580877e+27 762934.07 0 3.0817221e+08 -6.1343833e+14 1.3323008e-06
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600 5.5126512e+27 22471413 0 4.2045291e+08 8.9342863e+14 1.6138199e-06
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700 1.1807414e+28 37464997 0 8.8989193e+08 6.2323168e+14 2.0255833e-06
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800 1.2424839e+28 726898.54 0 8.9772833e+08 1.4692969e+14 2.6348959e-06
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900 1.2358395e+28 4553038.1 0 8.9675758e+08 3.720887e+13 3.2593627e-06
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1000 1.2341057e+28 2589682.6 0 8.9354252e+08 1.9021348e+14 3.8882369e-06
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Loop time of 64.1566 on 1 procs for 1000 steps with 3487 atoms
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Pair time (%) = 62.9492 (98.1181)
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Neigh time (%) = 0.861746 (1.34319)
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Comm time (%) = 0.00329423 (0.00513467)
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Outpt time (%) = 0.100208 (0.156193)
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Other time (%) = 0.242142 (0.377423)
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Nlocal: 3487 ave 3487 max 3487 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 567140 ave 567140 max 567140 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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FullNghs: 1.20908e+06 ave 1.20908e+06 max 1.20908e+06 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1209076
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Ave neighs/atom = 346.738
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Neighbor list builds = 46
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Dangerous builds = 0
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78
examples/peri/log.peri.21May08.linux.4
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78
examples/peri/log.peri.21May08.linux.4
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@ -0,0 +1,78 @@
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LAMMPS (21 May 2008)
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# small Peridynamic cylinder hit by projectile
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units si
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boundary s s s
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atom_style peri
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atom_modify map array
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neighbor 0.0010 bin
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# small target
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lattice sc 0.0005
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Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
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region target cylinder y 0.0 0.0 0.0050 -0.0050 0.0 units box
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create_box 1 target
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Created orthogonal box = (-0.005 -0.005 -0.005) to (0.005 0 0.005)
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2 by 1 by 2 processor grid
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create_atoms 1 region target
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Created 3487 atoms
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pair_style peri/pmb
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pair_coeff * * 1.6863e22 0.0015001 0.0005 0.25
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set group all density 2200
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3487 settings made for density
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set group all volume 1.25e-10
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3487 settings made for volume
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velocity all set 0.0 0.0 0.0 sum no units box
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fix 1 all nve
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# spherical indenter to shatter target
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fix 2 all indent 1e17 sphere 0.0000 0.00155 0.0000 0.0015 vel 0.0 -100.0 0.0 units box
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compute 1 all damage/atom
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timestep 1.0e-7
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thermo 100
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dump 1 all custom 100 dump.peri tag type x y z c_1
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run 1000
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Peridynamic bonds:
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total # of bonds = 335966
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bonds/atom = 96.3482
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Memory usage per processor = 18.5019 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 0 0 0 0 0 5.41008e-07
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100 1.7890585e+24 0 0 129159.67 5.9057929e+14 5.41008e-07
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200 1.3549879e+27 0 0 97822279 3.8202532e+14 5.9404973e-07
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300 3.3009625e+27 865379.51 0 2.3917576e+08 -1.552503e+15 8.6166616e-07
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400 3.815184e+27 24236.443 0 2.7545843e+08 -1.49454e+15 1.0705801e-06
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500 4.2580877e+27 762934.07 0 3.0817221e+08 -6.1343833e+14 1.3323008e-06
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600 5.5126512e+27 22471413 0 4.2045291e+08 8.9342863e+14 1.6138199e-06
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700 1.1807414e+28 37464996 0 8.8989193e+08 6.2323168e+14 2.0255833e-06
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800 1.2424839e+28 726898.37 0 8.9772833e+08 1.4692968e+14 2.6348959e-06
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900 1.2358395e+28 4553037.2 0 8.9675758e+08 3.7208852e+13 3.2593627e-06
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1000 1.2341057e+28 2589760.5 0 8.9354264e+08 1.902153e+14 3.8882369e-06
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Loop time of 18.1195 on 4 procs for 1000 steps with 3487 atoms
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Pair time (%) = 15.1613 (83.6735)
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Neigh time (%) = 0.20681 (1.14137)
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Comm time (%) = 2.51483 (13.8791)
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Outpt time (%) = 0.101843 (0.562062)
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Other time (%) = 0.13479 (0.743893)
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Nlocal: 871.75 ave 923 max 823 min
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Histogram: 1 0 0 1 0 0 1 0 0 1
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Nghost: 1343.25 ave 1392 max 1292 min
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Histogram: 1 0 0 1 0 0 1 0 0 1
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Neighs: 141785 ave 171378 max 115621 min
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Histogram: 1 1 0 0 0 0 0 1 0 1
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FullNghs: 291003 ave 303905 max 260820 min
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Histogram: 1 0 0 0 0 0 0 0 1 2
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Total # of neighbors = 1164011
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Ave neighs/atom = 333.814
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Neighbor list builds = 46
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Dangerous builds = 0
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