Hello everybody,
I think LAMMPS is not yet capable to do exactly what I want to, so I'll try to extend it a little bit. I'm not a C++-Expert, but because - like Axel always says - "there ain't no escape from the blues" I'll try it, also I think it's not that a big issue and I like blues. My problem is, that I don't exactly know where to start and I hope you could give me some hints.
The basic simulation-problem for me is, to give particles in a bulk a specific radius, which alters in time and z-coord of the particle.
Which steps should I do?
I tried to modify the compute_property_atom.cpp like that
if (mask[i] & groupbit) {
radius[i]=radius[i]*1.001;
buf[n]=radius[i];
}
else buf[n]=0.0;
...
but the radius did not change during the simulation... Isn't that the right place to modify the radius?
The second step I want to try - after modifying the radius was successful - is reading in a 2D-data-array, which determines the radius dependent on time and z-coord.
I hope someone can help me a little bit and my question is not too specific!
Thanks in advance,
kind regards
Sebastian