fix ave/spatial
fix ave/spatial 命令将模拟盒子在某一方向分层,求出每层的 density/number,然后作出曲线就行了:
group argon type 2
fix 101 argon ave/spatial 1 197000 200000 x lower 0.004 density/mass file density.profile units reduced
fix 1 all ave/spatial 10000 1 10000 z lower 0.02 c_myCentro units reduced
fix 1 flow ave/spatial 100 10 1000 y 0.0 1.0 vx vz norm sample file vel.profile
fix 1 flow ave/spatial 100 5 1000 y 0.0 2.5 density/mass ave running
Compute 1 Al chunk/atom bin/cylinder z lower 2 10 10 2 5 3 discard yes
fix 7 Al ave/chunk 100 2 200 1density/mass norm sample file alldensity.profile
参考资料
- Re: [lammps-users] density profile
- 密度分布曲线Density profile
- fix ave/chunk command
- LAMMPS中fix ave spatial空间平均命令中文版
- 润湿过程二维密度分布云图的数据获取
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