Commit 609c8b1e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add flag to reax/c system struct to signaling, whether OpenMP is active

parent 99880304

src/USER-OMP/pair_reaxc_omp.cpp

+1 −0
Original line number Diff line number Diff line
@@ -93,6 +93,7 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR) 


  suffix_flag |= Suffix::OMP;

  system->pair_ptr = this;

  system->omp_active = 1;



  num_nbrs_offset = NULL;

src/USER-REAXC/pair_reaxc.cpp

+2 −0
Original line number Diff line number Diff line
@@ -108,6 +108,8 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp) 
  system->my_atoms = NULL;

  system->pair_ptr = this;



  system->omp_active = 0;



  fix_reax = NULL;

  tmpid = NULL;

  tmpbo = NULL;

src/USER-REAXC/reaxc_types.h

+1 −0
Original line number Diff line number Diff line
@@ -415,6 +415,7 @@ struct _reax_system 
  int mincap;

  double safezone, saferzone;



  int omp_active;

};

typedef _reax_system reax_system;

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