units是LAMMPS中最常用的命令之一,其用途为设置模拟过程的单位

语法

units stytle

style = lj or real or metal or si or cgs or electron or micro or nano

例子

units metal
units lj

用法

style为real时

mass = grams/mole 质量=克/摩尔
distance = Angstroms 距离=埃米(10-9米)
time = femtoseconds 时间=飞秒(10-15秒)
energy = Kcal/mole 能量=千卡/摩尔
velocity = Angstroms/femtosecond 速度=埃米/飞秒
force = Kcal/mole-Angstrom 力=能量/距离
torque = Kcal/mole 力矩=千卡/摩尔
temperature = Kelvin 温度=开尔文单位
pressure = atmospheres 压力=大气压
dynamic viscosity = Poise 动力学黏度=帕
charge = multiple of electron charge (1.0 is a proton) 电荷=电子电荷倍数(1.0就是一个质子)
dipole = charge*Angstroms 偶极子=电荷*埃米
electric field = volts/Angstrom 电场=伏/埃米
density = gram/cm^dim 密度=克/平方厘米