I am interested in creating or modifying an existing pair style (such as pair_gran_hertz_history) so that it uses different contact behavior as a function of the number of touching neighbors, or coordination number. Does like this sound like something that is possible in LIGGGHTS? How and where is the coordination number stored in the program? Could I use it as a variable in the pair style's C++ file?
Thanks in advance,
Will
ckloss | Mon, 12/19/2011 - 16:50
good/interesting idea. sure,
good/interesting idea. sure, that is perfectly doable.
You would have to create your own pair style (e.g. derived from gran/hertz/history as you suggest) which issues a fix or compute coord/gran in it's constructor and then use the coordination number it calculates
>>How and where is the coordination number stored in the program?
there is a compute coord/gran that does this, but you probably have to re-write this into a fix coord/gran
>>Could I use it as a variable in the pair style's C++ file?
I would probably store the result computed by this fix coord/gran it into a fix property/atom.
Christoph