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Re: [lammps-users] pair style hybrid overlay
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Re: [lammps-users] pair style hybrid overlay

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 30 Sep 2017 11:05:30 -0400

On Fri, Sep 29, 2017 at 11:52 AM, Matthew Wander <mcfwander@...43...4...> wrote:
Is it possible to control which pair style is calculated first using hybrid overlay? Is it in order of input, e.g. pair_style      hybrid/overlay coul/wolf 0.2 9.00 morse 9.00 
Where the coulombs would be calculated first and then morse second?

​it should be computed in order of definition. but note, that the reverse communication, which collects per-atom information from ghost atoms and adds them to the corresponding atoms where they are local, will only happen after all sub-styles are computed (and stress fix F dot r, if this is supported).

I realize in most cases it is irrelevant but for the case I am concerned with it very much matters.

​please explain how this would matter.​ this sounds like may be doing something that has a conceptual problem.




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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.