[LAMMPS命令合集]units命令
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 |