Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions ：
1.when using "dump 1 all cfg 200 dump.*.cfg mass type xs ys zs id fx fy fz"command，manual tells me that fx, fy, fz attributes are self-explanatory,but I still confused about the definition of fx, fy, fz(atom force) and the relationship between fx(or fy, fz) and Sxx(or Syy, Szz) computed by compute stress/atom command
2.could I use compute voronoi/atom edge_histo for per_atom,not only for global analysis.If no,how to carry out similar analysis for per_atom by other methods?
Dear All,
I am using LAMMPS (14 Feb 2014) and have some questions ：
1.when using "dump 1 all cfg 200 dump.*.cfg mass type xs ys zs id fx fy
fz"command，manual tells me that fx, fy, fz attributes are
self-explanatory,but I still confused about the definition of fx, fy,
fz(atom force) and the relationship between fx(or fy, fz) and Sxx(or Syy,
Szz) computed by compute stress/atom command
Atomic forces are just the derivatives of energy w.r.t. position,
stress tensor is computed based on the Eq on the compute stress/atom
doc page using atomic forces.
Ray
2.could I use compute voronoi/atom edge_histo for per_atom,not only for
global analysis.If no,how to carry out similar analysis for per_atom by
other methods?
Somebody had asked that before, but when I offered to add it I never
got any reply. Looks like this might be useful for more than one
person. If I find some time I'll add it.
Daniel