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lammps/examples/neb/log.neb.hop2.18Feb13.linux.4
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log.neb.hop2.18Feb13.linux.4
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LAMMPS (18 Feb 2013)
Running on 4 partitions of processors
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
0 14.470556 10.654221 0.40467815 5.0039317 14.654382 0.0018497549 0.00068389874 0.98392852 0 -3.0514828 0.33333333 -3.0496331 0.66666667 -3.049639 1 -3.050317
100 0.30693642 0.14214612 0.064540435 0.18992386 0.55839627 0.0015370681 0.0015317937 1.155908 0 -3.0514877 0.28786213 -3.0503592 0.58937589 -3.0499507 1 -3.0514825
200 0.10867436 0.057454792 0.043842067 0.051490038 0.84846595 0.0014585096 0.001457658 1.1692143 0 -3.051491 0.29660843 -3.050316 0.62299493 -3.0500325 1 -3.0514902
300 0.11662168 0.030516737 0.030666311 0.034651023 1.0116774 0.0014064671 0.0014060807 1.1700677 0 -3.0514927 0.30984279 -3.05026 0.64188282 -3.0500862 1 -3.0514923
400 0.057106221 0.016512887 0.020989339 0.023348884 1.1072181 0.0013732957 0.0013731118 1.1704502 0 -3.0514936 0.31945381 -3.0502218 0.65251914 -3.0501203 1 -3.0514934
500 0.093684293 0.021481358 0.014823818 0.01669741 1.1580507 0.0013547017 0.0013546054 1.1706327 0 -3.051494 0.32491587 -3.0502011 0.65816371 -3.0501393 1 -3.0514939
600 0.02560367 0.0056944922 0.0095793714 0.010672043 1.1952184 0.0013409641 0.0013409194 1.1708165 0 -3.0514942 0.32892103 -3.0501865 0.6622228 -3.0501532 1 -3.0514941
700 0.053702771 0.012476635 0.0068206548 0.0077241137 1.2464658 0.0013348463 0.0013348207 1.1708921 0 -3.0514943 0.33065695 -3.0501803 0.66397271 -3.0501594 1 -3.0514942
720 0.0093868547 0.0029986965 0.0065969518 0.0073833131 1.2468529 0.0013343964 0.0013343722 1.1709106 0 -3.0514943 0.33077105 -3.0501798 0.66408416 -3.0501599 1 -3.0514943
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
720 1.2468529 1.2166503 0.0065969518 0.0073833131 1.2468529 0.0013343964 0.0013343722 1.1709106 0 -3.0514943 0.33077105 -3.0501798 0.66408416 -3.0501599 1 -3.0514943
820 0.14126642 0.078847007 0.0044950467 0.0051237953 0.14126642 0.0016023457 0.0016023321 1.1716496 0 -3.0514943 0.28575219 -3.0503638 0.50149409 -3.049892 1 -3.0514943
920 0.043110818 0.038638164 0.003579024 0.0040777949 0.012030411 0.0016020443 0.0016020343 1.1725483 0 -3.0514943 0.26947368 -3.0504461 0.50334153 -3.0498923 1 -3.0514943
1020 0.030296371 0.011719629 0.0024503979 0.002861026 0.030296371 0.0016019293 0.001601923 1.1739155 0 -3.0514943 0.25797318 -3.0505101 0.50450691 -3.0498924 1 -3.0514943
1102 0.0092997898 0.0056166831 0.0018951803 0.0022471504 0.0078955098 0.0016018729 0.0016018682 1.1743883 0 -3.0514943 0.25524857 -3.0505268 0.50492227 -3.0498925 1 -3.0514943
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