replace remaining calls to atof() with std::stod()

src/DPD-REACT/fix_eos_table_rx.cpp

@@ -134,11 +134,11 @@ FixEOStableRX::FixEOStableRX(LAMMPS *lmp, int narg, char **arg) :
   }
 
   if (rx_flag) read_file(arg[7]);
-  else dHf[0] = atof(arg[7]);
+  else dHf[0] = std::stod(arg[7]);
 
   if (narg==10) {
-    energyCorr[0] = atof(arg[8]);
+    energyCorr[0] = std::stod(arg[8]);
-    tempCorrCoeff[0] = atof(arg[9]);
+    tempCorrCoeff[0] = std::stod(arg[9]);
   }
 
   comm_forward = 3;
@@ -373,11 +373,11 @@ void FixEOStableRX::read_file(char *file)
       if (strcmp(words[0],&atom->dvname[ispecies][0]) == 0) break;
 
     if (ispecies < nspecies) {
-      dHf[ispecies] = atof(words[1]);
+      dHf[ispecies] = std::stod(words[1]);
       if (nwords > min_params_per_line+1) {
-        energyCorr[ispecies] = atof(words[2]);
+        energyCorr[ispecies] = std::stod(words[2]);
-        tempCorrCoeff[ispecies] = atof(words[3]);
+        tempCorrCoeff[ispecies] = std::stod(words[3]);
-        moleculeCorrCoeff[ispecies] = atof(words[4]);
+        moleculeCorrCoeff[ispecies] = std::stod(words[4]);
       }
     }
   }
@@ -482,7 +482,7 @@ void FixEOStableRX::read_table(Table *tb, Table *tb2, char *file, char *keyword)
 
     word = strtok(line," \t\n\r\f");
     word = strtok(nullptr," \t\n\r\f");
-    rtmp = atof(word);
+    rtmp = std::stod(word);
 
     for (int icolumn=0; icolumn < ncolumn; icolumn++) {
       ispecies = eosSpecies[icolumn];
@@ -491,7 +491,7 @@ void FixEOStableRX::read_table(Table *tb, Table *tb2, char *file, char *keyword)
       Table *tbl2 = &tables2[ispecies];
 
       word = strtok(nullptr," \t\n\r\f");
-      tmpE = atof(word);
+      tmpE = std::stod(word);
 
       tbl->rfile[i] = rtmp;
       tbl->efile[i] = tmpE;

src/DPD-REACT/fix_rx.cpp

@@ -863,7 +863,7 @@ void FixRX::read_file(char *file)
 
     word = strtok(line," \t\n\r\f");
     while (word != nullptr) {
-      tmpStoich = atof(word);
+      tmpStoich = std::stod(word);
       word = strtok(nullptr, " \t\n\r\f");
       for (ispecies = 0; ispecies < nspecies; ispecies++) {
         if (strcmp(word,&atom->dvname[ispecies][0]) == 0) {
@@ -886,13 +886,13 @@ void FixRX::read_file(char *file)
       if (strcmp(word,"=") == 0) sign = 1.0;
       if (strcmp(word,"+") != 0 && strcmp(word,"=") != 0) {
         if (word==nullptr) error->all(FLERR,"Missing parameters in reaction kinetic equation");
-        Arr[nreactions] = atof(word);
+        Arr[nreactions] = std::stod(word);
         word = strtok(nullptr, " \t\n\r\f");
         if (word==nullptr) error->all(FLERR,"Missing parameters in reaction kinetic equation");
-        nArr[nreactions]  = atof(word);
+        nArr[nreactions]  = std::stod(word);
         word = strtok(nullptr, " \t\n\r\f");
         if (word==nullptr) error->all(FLERR,"Missing parameters in reaction kinetic equation");
-        Ea[nreactions]  = atof(word);
+        Ea[nreactions]  = std::stod(word);
         sign = -1.0;
         break;
       }

src/DPD-REACT/pair_exp6_rx.cpp

@@ -889,15 +889,15 @@ void PairExp6rx::read_file2(char *file)
 
     if (strcmp(words[0],"alpha") == 0) {
       for (int ii=1; ii<params_per_line; ii++)
-        coeffAlpha[ii-1] = atof(words[ii]);
+        coeffAlpha[ii-1] = std::stod(words[ii]);
     }
     if (strcmp(words[0],"epsilon") == 0) {
       for (int ii=1; ii<params_per_line; ii++)
-        coeffEps[ii-1] = atof(words[ii]);
+        coeffEps[ii-1] = std::stod(words[ii]);
     }
     if (strcmp(words[0],"rm") == 0) {
       for (int ii=1; ii<params_per_line; ii++)
-        coeffRm[ii-1] = atof(words[ii]);
+        coeffRm[ii-1] = std::stod(words[ii]);
     }
   }
 

src/DPD-REACT/pair_multi_lucy.cpp

@@ -486,15 +486,15 @@ void PairMultiLucy::param_extract(Table *tb, char *line)
       if (strcmp(word,"R") == 0) tb->rflag = RLINEAR;
       else if (strcmp(word,"RSQ") == 0) tb->rflag = RSQ;
       word = strtok(nullptr," \t\n\r\f");
-      tb->rlo = atof(word);
+      tb->rlo = std::stod(word);
       word = strtok(nullptr," \t\n\r\f");
-      tb->rhi = atof(word);
+      tb->rhi = std::stod(word);
     } else if (strcmp(word,"FP") == 0) {
       tb->fpflag = 1;
       word = strtok(nullptr," \t\n\r\f");
-      tb->fplo = atof(word);
+      tb->fplo = std::stod(word);
       word = strtok(nullptr," \t\n\r\f");
-      tb->fphi = atof(word);
+      tb->fphi = std::stod(word);
     } else {
       printf("WORD: %s\n",word);
       error->one(FLERR,"Invalid keyword in pair table parameters");

src/DPD-REACT/pair_multi_lucy_rx.cpp

@@ -617,15 +617,15 @@ void PairMultiLucyRX::param_extract(Table *tb, char *line)
       if (strcmp(word,"R") == 0) tb->rflag = RLINEAR;
       else if (strcmp(word,"RSQ") == 0) tb->rflag = RSQ;
       word = strtok(nullptr," \t\n\r\f");
-      tb->rlo = atof(word);
+      tb->rlo = std::stod(word);
       word = strtok(nullptr," \t\n\r\f");
-      tb->rhi = atof(word);
+      tb->rhi = std::stod(word);
     } else if (strcmp(word,"FP") == 0) {
       tb->fpflag = 1;
       word = strtok(nullptr," \t\n\r\f");
-      tb->fplo = atof(word);
+      tb->fplo = std::stod(word);
       word = strtok(nullptr," \t\n\r\f");
-      tb->fphi = atof(word);
+      tb->fphi = std::stod(word);
     } else {
       printf("WORD: %s\n",word);
       error->one(FLERR,"Invalid keyword in pair table parameters");

src/KOKKOS/pair_exp6_rx_kokkos.cpp

@@ -1771,9 +1771,9 @@ void PairExp6rxKokkos<DeviceType>::read_file(char *file)
     params[nparams].potential = utils::strdup(words[1]);
 
     if (strcmp(params[nparams].potential,"exp6") == 0) {
-      params[nparams].alpha = atof(words[2]);
+      params[nparams].alpha = std::stod(words[2]);
-      params[nparams].epsilon = atof(words[3]);
+      params[nparams].epsilon = std::stod(words[3]);
-      params[nparams].rm = atof(words[4]);
+      params[nparams].rm = std::stod(words[4]);
       if (params[nparams].epsilon <= 0.0 || params[nparams].rm <= 0.0 ||
           params[nparams].alpha < 0.0)
         error->all(FLERR,"Illegal exp6/rx parameters.  Rm and Epsilon must be greater than zero.  Alpha cannot be negative.");

src/MGPT/mgpt_readpot.cpp

@@ -531,7 +531,7 @@ void potdata::readpot(const char *parmin_file,const char *potin_file,const doubl
 
 /*
 int main(int argc,char *argv[]) {
-  double vol = atof(argv[3]);
+  double vol = std::stod(argv[3]);
   int n = 25,i;
 
   printf("%% parmin = %s\n%% potin = %s\n%% vol = %15.5e\n",