Dear lammps users and developers,

I think the documentation for the new ave/chunk command says that, with the temp keyword, temperature is calculated with the usual definition containing the Boltzmann constant kb. I used this command in the 6 April 2015 version (with units metal) and got temperature values corresponding to kb=1. I looked in the source code for ave/chunk and did not see any use of the Boltzmann constant for temperature calculation. Is this intended?


you’re correct - fix ave/chunk temperature was missing the Kboltz factor.

That’s what happens when you do your testing with LJ units :slight_smile:

Will be updated in next patch.