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lammps/examples/neb/log.neb.hop1.1Feb14.linux.4
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LAMMPS (1 Feb 2014)
Running on 4 partitions of processors
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
0 4394.415 2794.6751 0.41279209 4.8987813 4588.501 0.43598632 0.42993506 1.8911387 0 -3.053578 0.33333333 -2.6175917 0.66666667 -2.7448543 1 -3.0475267
100 0.12010575 0.088127762 0.064276554 0.094661883 0.20236294 0.007087892 0.002266113 2.3031028 0 -3.0535897 0.31865586 -3.0473542 0.63955795 -3.0465019 1 -3.048768
128 0.095281121 0.071078266 0.057687219 0.073871056 0.21277196 0.0070816181 0.0022610401 2.3073292 0 -3.0535911 0.31919352 -3.0473504 0.64407221 -3.0465095 1 -3.0487705
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
128 0.21277196 0.18384896 0.057687219 0.073871056 0.21277196 0.0070816181 0.0022610401 2.3073292 0 -3.0535911 0.31919352 -3.0473504 0.64407221 -3.0465095 1 -3.0487705
218 0.098467802 0.080574436 0.040076462 0.045136805 0.098467802 0.0071048579 0.0022855225 2.313949 0 -3.0535941 0.31520301 -3.0473978 0.61524469 -3.0464893 1 -3.0487748
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