LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] Inserting a particle at a Voronoi vertex at maximum distance from existing particles
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] Inserting a particle at a Voronoi vertex at maximum distance from existing particles


From: Garrett Tow <gtow@...46...>
Date: Fri, 4 Aug 2017 22:51:31 -0400

Hi,

I am running a 2-D simulation and wish to occasionally insert particles. For the location of the insertion, I want to meet two criteria:

1. The particle should be inserted within the convex hull of a defined dynamic group of particles in the simulation.

2. The particle should be placed as far away as possible from any of the particles in the defined group.

My current thought on calculating the coordinates of insertion is to find the Voronoi vertices within the convex hull of the defined group of particles and then find which of those vertices has the maximum distance to a particle in the group.

Looking at the computes available, voronoi/atom seems to be a promising starting point, however there is not an option to output the coordinates of the vertices. Before going too far down the rabbit hole of modifying/creating a compute, is there any suggestion for a more simple method of calculating the desired insertion coordinates, preferably minimizing the editing or creation of source code?

Best,
Garrett