[lammps-users] Temperature as a function of time

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1

Steve,
While doing a thermal conducitivty simulation, is it possible to pick out one spatial location (a plane or layer) and print to a file the average temperature of that layer as a function of time? Is it true that fix ave/spatial always prints information for all the layers?

Thanks,
Sreekant

2

You can use compute ke/atom and write a variable that converts
it to temperature, then use fix ave/spatial to average it however you
want. That fix puts its answers in a vector which can be accessed
by thermo output or printed to a file via fix ave/time.

Steve