[lammps-users] Feature question

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1

Dear all,

I am a phD student working in the university of bordeaux(France), and i wanted
to ask if anyone is actually working on a three-body potential like
Stilinger-Weber for integration in LAMMPS ?

If not, I may contribute to such an effort if somebody is interested in
helping ... like in order to know from the developpers what would be the
difficulties and constraints...

thanks in advance.

2

I don't know anyone actively doing this. Another Sandian, Aidan
Thompson (athomps at sandia.gov), implemented SW for his parallel MD
code GRASP which has many
similarities to LAMMPS. He could likely give you some code to start with.

Steve