[lammps-users] cylindrically symmetric bins

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1

Dear all,

I am trying to use ‘fix ave/spatial’ command to get density profiles from my PE fibre.
My PE fibre is a long cylinder shaped bundle of PE polymer.
Since I want to know “number density vs distance from fibre centre” profile and my fibre is not cylindrically homogeneous, I want to divide the fibre into cylindrically symmetric bins.
Does anyone know any method for generating cylindrically symmetric bins?
Any reply would be greatly appreciated.

Thank you,

Justin Jungkyu

2

You can't do that with fix ave/spatial. I suggest post-processing
what you want from a dump file.

Steve

3

Okay, I got it.
Thank you for your reply.
Then, this is not a Lammps questions, but, do you mind if I ask you whether you have any suggestion for the post-processing for density file?

Thank you

Justin Jungkyu

4

Dear Justin,

You could also have had a look at the mailing list archive. This issue
was raised very recently ([lammps-users] creating circular bins, shiva
raghavendra Feb 08 2011, 01:08), and I posted an example of
modification of fix ave/spatial to use spherical or cylindrical bins.
I'll forward my previous answer to you.

Best,
Laurent

2011/3/5 Jungkyu Park <[email protected]...>:

5

What I meant was, write some code to scan the dump files
and compute the density you want. If you're not comfortable
coding that, then you'll need to find someone to help you.

Steve