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Re: [lammps-users] (no subject)


From: sanchari bhatt <sanchari789byc@...24...>
Date: Wed, 6 Sep 2017 19:39:37 +0530

thank you for ur suggestions!!
actually i am using ionicliquid and wanted to know how  alkyl side chain vectors are aligned whether parallel or perpendicular on the graphene sheet,thaswhy wanted to know whether lammpshave this command or not
 

On Tue, Sep 5, 2017 at 7:09 PM, Stefan Paquay <stefanpaquay@...24...> wrote:
I don't think there is. It is tricky to do for atom styles that do not have information about the orientation. If you are simulating (coarse-grained) molecules that form liquid crystal phases, you're best off calculating order in post-processing. If you use anisotropic particles that do have an orientation, you could in principle write a compute for that.

On Sun, Sep 3, 2017 at 1:04 AM, sanchari bhatt <sanchari789byc@...24...> wrote:

HELLO USERS!!


Is there any command in lammps which calculate orientational ordering parameter using average of second legendre polynomial??



ANY HELP APPRECIATED!



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