stop with error message when computing per-atom stress for reax/c/omp

This commit is contained in:
Axel Kohlmeyer
2019-04-06 11:27:04 -04:00
parent 8683e1ebf8
commit cb27d03c79

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@ -196,6 +196,10 @@ void PairReaxCOMP::compute(int eflag, int vflag)
if (vflag_global) control->virial = 1;
else control->virial = 0;
if (vflag_atom)
error->all(FLERR,"Pair style reax/c/omp does not support "
"computing per-atom stress");
system->n = atom->nlocal; // my atoms
system->N = atom->nlocal + atom->nghost; // mine + ghosts
system->bigN = static_cast<int> (atom->natoms); // all atoms in the system