how to create a group of atoms

Submitted by billsouls on Mon, 07/18/2016 - 15:57

Hi, all

I want to modelling particle crushing in LIGGGHTS using replacement method. I have no idea how to create a group of atoms given their coordinates after deleting their corresponding mother atoms. The atoms could be created one by one, but it seems time consuming.

Many thanks in advance,

Su

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ckloss's picture

ckloss | Mon, 07/25/2016 - 23:48

Hi Su,

there is no simple solution to this: it will involve heavy coding/implementation work. The best way to do this would be to familiarize yourself with all the internals of the fix_insert*.h/cpp files and the files they are using/including

Best wishes
Christoph