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[lammps-users] About in.langevin in KAPPA folder
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[lammps-users] About in.langevin in KAPPA folder


From: Tir McDohl <tir.tenkai@...24...>
Date: Tue, 29 Aug 2017 14:32:54 +0100

Hi LAMMPS Users,

I hope you are okay with me asking another question, this one is much shorter, however, and more specific.

It's regarding the in.langevin example input script in the KAPPA subdirectory of LAMMPS. I wanted to know why the two Langevin thermostats used to maintain a region at a high temperature (hot region) and another at a lower temperature (cold region) use the 'all' keyword for group ID. Shouldn't the Langevin thermostats be configured only to work on a group of atoms (perhaps grouped by region) that are meant to be hot or cold?

I do not understand how the two regions are maintained at the desired temperatures. I've attached the input file for reference.

Many thanks and have a good day,

Tir

Attachment: in.langevin
Description: Binary data