Unverified Commit bca7364b authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent 9334c72c

src/USER-OMP/pair_reaxc_omp.cpp

+1 −0
Original line number Diff line number Diff line
@@ -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;

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