What are the units of SMASS?
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 12
- Joined: Tue Nov 15, 2011 8:50 pm
What are the units of SMASS?
When using a Nose thermostat, what are the units of SMASS? According to J. Chem. Phys. 81 511 (1984), it should be of dimension energy * time^2. There doesn't seem to be any mention of the units in the manual.
Last edited by xamnidar on Thu Dec 05, 2013 11:50 pm, edited 1 time in total.
-
- Newbie
- Posts: 12
- Joined: Tue Nov 15, 2011 8:50 pm
What are the units of SMASS?
After looking at the source code, I believe that SMASS is in units of
atomic mass units * (length of first lattice vector)^2
atomic mass units * (length of first lattice vector)^2
Last edited by xamnidar on Fri Jan 10, 2014 12:58 am, edited 1 time in total.