Define Region with Variable Coordinates

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1

Dear lammps users,

I was wondering if anyone could help me figure out how to generate a spherical region with
variable coordinates. At the moment, I understand that LAMMPS allows for variable radius, I would like to find a workaround to also have a variable origin. For instance I would like to have it always centered on a cartain atom.

Thanks for any suggestion you can give me!

David

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Dear David,

You’d have to modify LAMMPS to do this (specifically, region_sphere.cpp). Perhaps there’s an easier way, though, what is it you’re trying to do?

Cheers,
Niall