Commit d7a5bf4e authored by mkanski's avatar mkanski
Browse files

Repair last commit

parent 1a105253

src/USER-REAXC/pair_reaxc.cpp

+1 −0
Original line number Diff line number Diff line
@@ -91,6 +91,7 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp) 
    memory->smalloc(sizeof(mpi_datatypes),"reax:mpi");



  MPI_Comm_rank(world,&system->my_rank);

  control->me = system->my_rank;



  system->my_coords[0] = 0;

  system->my_coords[1] = 0;

src/USER-REAXC/reaxc_init_md.cpp

+2 −2
Original line number Diff line number Diff line
@@ -91,13 +91,13 @@ void Init_Taper( control_params *control, storage *workspace ) 
  swa = control->nonb_low;

  swb = control->nonb_cut;



  if (fabs( swa ) > 0.01 && control->my_rank == 0)

  if (fabs( swa ) > 0.01 && control->me == 0)

    control->error_ptr->warning( FLERR, "Non-zero lower Taper-radius cutoff" );



  if (swb < 0) {

    control->error_ptr->all(FLERR,"Negative upper Taper-radius cutoff");

  }

  else if( swb < 5 && control->my_rank == 0) {

  else if( swb < 5 && control->me == 0) {

    char errmsg[256];

    snprintf(errmsg, 256, "Very low Taper-radius cutoff: %f", swb );

    control->error_ptr->warning( FLERR, errmsg );

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