I have a question about using the mass, pair_style/pair_coeff command when using LJ units.
I have a system with only one type of atom and am using the following inputs to setup the masses and pair style/coefficients.
I have a question about using the mass, pair_style/pair_coeff command when using LJ units.
I have a system with only one type of atom and am using the following inputs to setup the masses and pair style/coefficients.
You could specify the actual params (for say, Ar), but using
1.0 values is more typical. That way, you are simulating
any LJ system and can convert the thermodynamic output
to whatever system is of interest, after the fact.
Steve