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Parallel point defect identification in molecular dynamics simulations without post-processing: A compute and dump style for LAMMPS

[论文作者]Karl D. Hammond_
[类型]外文期刊
Cascade damage;Frenkel pair;Parallel;Molecular dynamics;LAMMPS;Point defect
Abstract(#br)Two classes for the molecular dynamics program LAMMPS – one compute style and one dump style – are presented that are designed to identify, count, and output point defects in ca...
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