Hi all,
Could someone just let me know what "tau" (used for normalizing time)
means in "units lj"?
Thank you.
Shigenobu
Hi all,
Could someone just let me know what "tau" (used for normalizing time)
means in "units lj"?
Thank you.
Shigenobu
Shigenobu,
Tau = sigma*sqrt(mass/epsilon)
Tau is the unit of time. Tau = 1 if sigma = mass = epsilon = 1 (fully
reduced units). You could calculate how quantities in reduced units relate
to real units by substituting real values for mass etc.
Pieter
See Allen & Tildesley, appendix B for a discussion of LJ units,
including tau.
Steve