Collecting average energies via Tcl callback?

From: Brian Radak (
Date: Thu Oct 13 2016 - 11:19:40 CDT

Is there an elegant way to get average energies via Tcl? The average
instantaneous temperature and pressure are obviously available via the
normal callback, but it doesn't look like total energy is, for example.

Repeatedly calling "run [outputEnergies]" and then accumulating a sum as
a Tcl variable works just fine and doesn't seem to be particularly low
performance (for reasonably values of outputEnergies), but it does seem
a bit inelegant.


Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory
9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643

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