LAMMPS简要使用说明.pdf

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1、LAMMPS简要使用说明目录lammps简要使用说明..........................................................................................................................................................1LAMMPS介绍.........................................................................................

2、......................................................................4文件................................................................................................................................................................................41.系统初始化.....................

3、................................................................................................................................................4unitslj/real/metal/si/cgs............................................................................................................

4、......................................4atom_styleangle/atomic/bond/charge/dipole/dpd/ellipsoid/full/granular/molecular/hybrid..........................................5atom_modifymap/first..........................................................................................

5、..........................................................5dimensionN,N=2/3........................................................................................................................................................5boundaryxyz,default=boundaryppp...................

6、......................................................................................................5newtonflag/flag1flag2...................................................................................................................................................5commun

7、icatesingle/multigroup/cutoff..........................................................................................................................5processorsPxPyPz..............................................................................................................

8、..........................................62.创建模拟晶胞...