Question about fix AtC

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 ?

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.


appreciate it Axel.