disallow using fdotr for computing virial contributions with reax/c/omp

2019-04-06 09:21:50 -04:00
parent 9334c72c04
commit bca7364ba3
1 changed files with 1 additions and 0 deletions
--- a/src/USER-OMP/pair_reaxc_omp.cpp
+++ b/src/USER-OMP/pair_reaxc_omp.cpp
@ -91,6 +91,7 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR)
 {
  if (lmp->citeme) lmp->citeme->add(cite_pair_reax_c_omp);

+  no_virial_fdotr_compute = 1;
  suffix_flag |= Suffix::OMP;
  system->pair_ptr = this;
  system->omp_active = 1;