From owner-chemistry@ccl.net Thu Jun 16 23:15:01 2016 From: "Viswanath Pasumarthi pasumart]*[buffalo.edu" To: CCL Subject: CCL: Process counter for individual species in kmos program Message-Id: <-52243-160616225617-16242-zAtfsLsAXu3fKNehdoFjMw-#-server.ccl.net> X-Original-From: "Viswanath Pasumarthi" Date: Thu, 16 Jun 2016 22:56:16 -0400 Sent to CCL by: "Viswanath Pasumarthi" [pasumart[A]buffalo.edu] Hi, I am using kmos (http://kmos.readthedocs.io/en/latest/), a Kinetic Monte Carlo program to study a diffusion-only model in hematite lattice structure. Currently, I am performing MSD calculations for a single diffusing species using `procstat`, a process counter functionality. However I can't use `procstat` when simulating multiple diffusing species. Is there a way `procstat` can be used for this purpose or is there any other functionality kmos provides? Thank you, Viswanath Pasumarthi pasumart ~~ buffalo.edu