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Aug 9, 2024 · 并行计算是提高分子动力学仿真效率的关键技术。 LAMMPS 通过支持多线程并行（OpenMP）、多节点并行（MPI）和混合并行（MPI + O/在lammps模拟过程中，group基本上是每次都会用到的一个命令。 从命令关键字上也能猜出来，group就是对原子进行分组的意思。 被group后的å$A set of tutorials for the LAMMPS code. LAMMPS tutorials has 6 repositories available. Follow their code on GitHub.$The subtract style takes a list of two or more existing group names as arguments. All atoms that belong to the first group, but not to any of the other groups are added to the spec%group mobile subtract all boundary #除开boundary组以外的原子都归为mobile组 set group lower type 2 #将lower组内的原子定义为类型2 set group upper type 3 #将up!Dec 13, 2024 · ### LAMMPS Region Command Usage In LAMMPS, the region command defines a geometric domain or volume within which atoms can be created, deleted, or interacted with sp+The subtract style takes a list of two or more existing group names as arguments. All atoms that belong to the 1st group, but not to any of the other groups are added to the specif