diff --git a/src/atom.cpp b/src/atom.cpp index 75b1b07fbf..fe260309e2 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -1752,7 +1752,7 @@ void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg) if (lo < 1 || hi > ntypes) error->all(file,line,"Invalid type for mass set"); for (int itype = lo; itype <= hi; itype++) { - mass[itype] = atof(arg[1]); + mass[itype] = utils::numeric(FLERR,arg[1],false,lmp); mass_setflag[itype] = 1; if (mass[itype] <= 0.0) error->all(file,line,"Invalid mass value"); diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index 82d3dff458..bc9aeefe7b 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -148,8 +148,8 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) : if (iarg+3 > narg) error->all(FLERR,"Illegal compute reduce command"); if (mode != MINN && mode != MAXX) error->all(FLERR,"Compute reduce replace requires min or max mode"); - int col1 = atoi(arg[iarg+1]) - 1; - int col2 = atoi(arg[iarg+2]) - 1; + int col1 = utils::inumeric(FLERR,arg[iarg+1],false,lmp) - 1; + int col2 = utils::inumeric(FLERR,arg[iarg+2],false,lmp) - 1; if (col1 < 0 || col1 >= nvalues || col2 < 0 || col2 >= nvalues) error->all(FLERR,"Illegal compute reduce command"); if (col1 == col2) error->all(FLERR,"Illegal compute reduce command"); diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index c1c52a3f8c..f18888bbfc 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -254,13 +254,19 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf, if ((m = atom->map(itag)) >= 0) { for (j = 0; j < nvalue; j++) { - if (style[j] == MOLECULE) atom->molecule[m] = ATOTAGINT(values[j+1]); - else if (style[j] == CHARGE) atom->q[m] = atof(values[j+1]); - else if (style[j] == RMASS) atom->rmass[m] = atof(values[j+1]); - else if (style[j] == INTEGER) - atom->ivector[index[j]][m] = atoi(values[j+1]); - else if (style[j] == DOUBLE) - atom->dvector[index[j]][m] = atof(values[j+1]); + if (style[j] == MOLECULE) { + atom->molecule[m] = utils::tnumeric(FLERR,values[j+1],false,lmp); + } else if (style[j] == CHARGE) { + atom->q[m] = utils::numeric(FLERR,values[j+1],false,lmp); + } else if (style[j] == RMASS) { + atom->rmass[m] = utils::numeric(FLERR,values[j+1],false,lmp); + } else if (style[j] == INTEGER) { + atom->ivector[index[j]][m] = utils::inumeric(FLERR,values[j+1], + false,lmp); + } else if (style[j] == DOUBLE) { + atom->dvector[index[j]][m] = utils::numeric(FLERR,values[j+1], + true,lmp); + } } } diff --git a/src/kspace.cpp b/src/kspace.cpp index 5556a5e8d0..f44cc42aaf 100644 --- a/src/kspace.cpp +++ b/src/kspace.cpp @@ -564,9 +564,9 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"kmax/ewald") == 0) { if (iarg+4 > narg) error->all(FLERR,"Illegal kspace_modify command"); - kx_ewald = atoi(arg[iarg+1]); - ky_ewald = atoi(arg[iarg+2]); - kz_ewald = atoi(arg[iarg+3]); + kx_ewald = utils::inumeric(FLERR,arg[iarg+1],false,lmp); + ky_ewald = utils::inumeric(FLERR,arg[iarg+2],false,lmp); + kz_ewald = utils::inumeric(FLERR,arg[iarg+3],false,lmp); if (kx_ewald < 0 || ky_ewald < 0 || kz_ewald < 0) error->all(FLERR,"Bad kspace_modify kmax/ewald parameter"); if (kx_ewald > 0 && ky_ewald > 0 && kz_ewald > 0) @@ -583,15 +583,15 @@ void KSpace::modify_params(int narg, char **arg) iarg += 2; } else if (strcmp(arg[iarg],"force/disp/real") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - accuracy_real_6 = atof(arg[iarg+1]); + accuracy_real_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"force/disp/kspace") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - accuracy_kspace_6 = atof(arg[iarg+1]); + accuracy_kspace_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp); iarg += 2; } else if (strcmp(arg[iarg],"eigtol") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command"); - splittol = atof(arg[iarg+1]); + splittol = utils::numeric(FLERR,arg[iarg+1],false,lmp); if (splittol >= 1.0) error->all(FLERR,"Kspace_modify eigtol must be smaller than one"); iarg += 2;