Commit 7a22b8aa authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

check only in currently added data file atoms for dihedral overflow

parent 4c1fbc35

src/read_data.cpp

+1 −1
Original line number Diff line number Diff line
@@ -1435,7 +1435,7 @@ void ReadData::dihedrals(int firstpass) 


  if (firstpass) {

    int max = 0;

    for (int i = 0; i < nlocal; i++) max = MAX(max,count[i]);

    for (int i = nlocal_previous; i < nlocal; i++) max = MAX(max,count[i]);

    int maxall;

    MPI_Allreduce(&max,&maxall,1,MPI_INT,MPI_MAX,world);

    if (addflag == NONE) maxall += atom->extra_dihedral_per_atom;

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