Dear Lammps users,
According to my observation, It seems that fix AtC hardy does not work with many body potentials such as tersoff and REBO. Is that correct ? I’m asking because there is not such restriction mentioned in the user manual. If so, is there any other option rather than virial theorem to calculate the stress ?
Thanks,
Shargh
the logic works the other way around: unless something explicitly says that it is supported, assume that it is not. in many cases it is impossible to list all the things that don’t work. fix atc predates a significant part of the contributions to LAMMPS, so the authors could not even have known what will be available now.
axel.
appreciate it Axel.
Best