Commit 51fc386e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

correct the inner loop range for resetting cutoffs when redefining a pair style 

this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
parent 06c15142

src/ASPHERE/pair_gayberne.cpp

+1 −1
Original line number Diff line number Diff line
@@ -281,7 +281,7 @@ void PairGayBerne::settings(int narg, char **arg) 
  if (allocated) {

    int i,j;

    for (i = 1; i <= atom->ntypes; i++)

      for (j = i+1; j <= atom->ntypes; j++)

      for (j = i; j <= atom->ntypes; j++)

        if (setflag[i][j]) cut[i][j] = cut_global;

  }

}

src/ASPHERE/pair_line_lj.cpp

+1 −1
Original line number Diff line number Diff line
@@ -355,7 +355,7 @@ void PairLineLJ::settings(int narg, char **arg) 
  if (allocated) {

    int i,j;

    for (i = 1; i <= atom->ntypes; i++)

      for (j = i+1; j <= atom->ntypes; j++)

      for (j = i; j <= atom->ntypes; j++)

        if (setflag[i][j]) cut[i][j] = cut_global;

  }

}

src/ASPHERE/pair_resquared.cpp

+1 −1
Original line number Diff line number Diff line
@@ -253,7 +253,7 @@ void PairRESquared::settings(int narg, char **arg) 
  if (allocated) {

    int i,j;

    for (i = 1; i <= atom->ntypes; i++)

      for (j = i+1; j <= atom->ntypes; j++)

      for (j = i; j <= atom->ntypes; j++)

        if (setflag[i][j]) cut[i][j] = cut_global;

  }

}

src/ASPHERE/pair_tri_lj.cpp

+1 −1
Original line number Diff line number Diff line
@@ -426,7 +426,7 @@ void PairTriLJ::settings(int narg, char **arg) 
  if (allocated) {

    int i,j;

    for (i = 1; i <= atom->ntypes; i++)

      for (j = i+1; j <= atom->ntypes; j++)

      for (j = i; j <= atom->ntypes; j++)

        if (setflag[i][j]) cut[i][j] = cut_global;

  }

}

src/BODY/pair_body.cpp

+1 −1
Original line number Diff line number Diff line
@@ -372,7 +372,7 @@ void PairBody::settings(int narg, char **arg) 
  if (allocated) {

    int i,j;

    for (i = 1; i <= atom->ntypes; i++)

      for (j = i+1; j <= atom->ntypes; j++)

      for (j = i; j <= atom->ntypes; j++)

        if (setflag[i][j]) cut[i][j] = cut_global;

  }

}

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