WebMar 25, 2024 · fix 1 all wall/region 1r lj126 1.0 1.0 1.0 #fix 1 all wall/reflect xlo EDGE xhi EDGE ylo EDGE yhi EDGE zlo EDGE zhi EDGE fix 2 all nvt temp 1.0 1.0 100. thermo_style custom step temp pe ke press spcpu timestep 0.001 dump 1 all dcd 5000 trajafter10M.dcd dump_modify 1 unwrap yes minimize 1.0e-4 1.0e-6 1000000 10000 write_restart … WebAlternate means of relaxing a system are to run dynamics with a small or limited timestep.Or dynamics can be run using fix viscous to impose a damping force that slowly drains all kinetic energy from the system. The pair_style soft potential can be used to un-overlap atoms while running dynamics.. Note that you can minimize some atoms in the system …
使用Intel oneAPI编译运行LAMMPS - 弹性高性能计算E-HPC - 阿里云
WebJan 17, 2024 · 上述各命令产生的墙只能是沿坐标轴方向的平面墙(目前版本的fix wall/gran还可以生成母线方向为z方向的圆柱墙)。如果想得到形状更加复杂的几何墙 … http://www.52souji.net/lammps-command-region.html 14代 日本酒 種類
关于fix wall/region命令的问题 - 分子模拟 - LAMMPS/DL_POLY
WebDec 29, 2024 · fix本义为 修理 ,该命令除了实现基本的NVE,NPT等系综的求解,而且还可以实现改变原子受力,增加约束,沉积原子和模拟盒子变形等操作,掌握fix命令对利 … WebMay 6, 2014 · fixwall/regioncommandSyntax:fixIDgroup-IDwall/regionregion-IDstyleepsilonsigmacutoffID,group … Webfix wall/gran/region command; fix wall/piston command; fix wall/reflect command; fix wall/reflect/stochastic command; fix wall/region command; fix wall/srd command; fix … 14代将軍足利