diff --git a/src/REAXFF/fix_reaxff_species.cpp b/src/REAXFF/fix_reaxff_species.cpp index a839469d35..3438d57977 100644 --- a/src/REAXFF/fix_reaxff_species.cpp +++ b/src/REAXFF/fix_reaxff_species.cpp @@ -63,9 +63,9 @@ FixReaxFFSpecies::FixReaxFFSpecies(LAMMPS *lmp, int narg, char **arg) : MPI_Comm_size(world,&nprocs); ntypes = atom->ntypes; - nevery = atoi(arg[3]); - nrepeat = atoi(arg[4]); - global_freq = nfreq = atoi(arg[5]); + nevery = utils::inumeric(FLERR,arg[3],false,lmp); + nrepeat = utils::inumeric(FLERR,arg[4],false,lmp); + global_freq = nfreq = utils::inumeric(FLERR,arg[5],false,lmp); comm_forward = 4; @@ -155,9 +155,9 @@ FixReaxFFSpecies::FixReaxFFSpecies(LAMMPS *lmp, int narg, char **arg) : // set BO cutoff if (strcmp(arg[iarg],"cutoff") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal fix reaxff/species command"); - itype = atoi(arg[iarg+1]); - jtype = atoi(arg[iarg+2]); - bo_cut = atof(arg[iarg+3]); + itype = utils::inumeric(FLERR,arg[iarg+1],false,lmp); + jtype = utils::inumeric(FLERR,arg[iarg+2],false,lmp); + bo_cut = utils::numeric(FLERR,arg[iarg+3],false,lmp); if (itype > ntypes || jtype > ntypes) error->all(FLERR,"Illegal fix reaxff/species command"); if (itype <= 0 || jtype <= 0) @@ -187,7 +187,7 @@ FixReaxFFSpecies::FixReaxFFSpecies(LAMMPS *lmp, int narg, char **arg) : } else if (strcmp(arg[iarg],"position") == 0) { if (iarg+3 > narg) error->all(FLERR,"Illegal fix reaxff/species command"); posflag = 1; - posfreq = atoi(arg[iarg+1]); + posfreq = utils::inumeric(FLERR,arg[iarg+1],false,lmp); if (posfreq < nfreq || (posfreq%nfreq != 0)) error->all(FLERR,"Illegal fix reaxff/species command");