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What are the units of SMASS?

Posted: Thu Dec 05, 2013 11:50 pm
by xamnidar
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.

What are the units of SMASS?

Posted: Fri Jan 10, 2014 12:58 am
by xamnidar
After looking at the source code, I believe that SMASS is in units of

atomic mass units * (length of first lattice vector)^2