LAMMPS单位转换
1、real to SI
variable KB equal 1.989e-3 # [Kcal/mol/K] Boltzmann
variable atm2Pa equal 1.013e5 #压力转换(1atm=1.013e5Pa)
variable A2m equal 1.0e-10
variable fs2s equal 1.0e-15
variable Kcalpermol2J equal 6.95e-21
2、metal to SI
variable KB equal 8.625e-5 # 玻尔兹曼常数,eV/K
variable bars2Pa equal 1e5 #压力转换(1bar=1*e5Pa)
variable A2m equal 1.0e-10
variable ps2s equal 1.0e-12
variable ev2J equal 1.6e-19