Dear All,

In LJ units the desnity is rho* = rho sigma^dim/m

What’s sigma^dim/m?

I have rho* for argon and want to calculate the actual density.

Sorry for the trivial question.

Best regards,

Yunes Salman

Dear All,

In LJ units the desnity is rho* = rho sigma^dim/m

What’s sigma^dim/m?

I have rho* for argon and want to calculate the actual density.

Sorry for the trivial question.

Best regards,

Yunes Salman

which of “sigma”, “dim”, or “m” is not clear to you?

Dear Axel,

Sigma and dim but mostly dim.

Best regards,

Yunes Salman

Sigma is your “reference sigma” i.e. the sigma that defines your reduced length unit.

Dim is the dimensionality, i.e. 2 is you are using dimension 2 in your input or 3 if you are using dimension 3 (which is the default).