diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index 41a54a64fff2232bc2ff47e33155e14eb9b3d966..b66569be342d53ba7de8404d7eb2984cd5dee510 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -251,15 +251,15 @@ void FixAtomSwap::init() } else if (qtype[iswaptype] != atom->q[i]) error->one(FLERR,"All atoms of a swapped type must have the same charge."); } - MPI_Allreduce(&first,&firstall,1,MPI_INT,MPI_MIN,world); - if (firstall) error->all(FLERR,"At least one atom of each swapped type must be present to define charges."); - if (first) qtype[iswaptype] = -DBL_MAX; - MPI_Allreduce(&qtype[iswaptype],&qmax,1,MPI_DOUBLE,MPI_MAX,world); - if (first) qtype[iswaptype] = DBL_MAX; - MPI_Allreduce(&qtype[iswaptype],&qmin,1,MPI_DOUBLE,MPI_MIN,world); - if (qmax != qmin) error->all(FLERR,"All atoms of a swapped type must have same charge."); } } + MPI_Allreduce(&first,&firstall,1,MPI_INT,MPI_MIN,world); + if (firstall) error->all(FLERR,"At least one atom of each swapped type must be present to define charges."); + if (first) qtype[iswaptype] = -DBL_MAX; + MPI_Allreduce(&qtype[iswaptype],&qmax,1,MPI_DOUBLE,MPI_MAX,world); + if (first) qtype[iswaptype] = DBL_MAX; + MPI_Allreduce(&qtype[iswaptype],&qmin,1,MPI_DOUBLE,MPI_MIN,world); + if (qmax != qmin) error->all(FLERR,"All atoms of a swapped type must have same charge."); } }