git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/BODY/body_nparticle.cpp

@@ -17,6 +17,7 @@
 #include "atom_vec_body.h"
 #include "atom.h"
 #include "error.h"
+#include "force.h"
 
 using namespace LAMMPS_NS;
 
@@ -29,8 +30,8 @@ BodyNparticle::BodyNparticle(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg != 3) error->all(FLERR,"Invalid body nparticle command");
 
-  int nmin = atoi(arg[1]);
+  int nmin = force->inumeric(FLERR,arg[1]);
-  int nmax = atoi(arg[2]);
+  int nmax = force->inumeric(FLERR,arg[2]);
   if (nmin <= 0 || nmin > nmax) 
     error->all(FLERR,"Invalid body nparticle command");
 

src/DIPOLE/pair_lj_cut_dipole_long.cpp

@@ -352,9 +352,9 @@ void PairLJCutDipoleLong::settings(int narg, char **arg)
   if (narg < 1 || narg > 2) 
     error->all(FLERR,"Incorrect args in pair_style command");
 
-  cut_lj_global = atof(arg[0]);
+  cut_lj_global = force->numeric(FLERR,arg[0]);
   if (narg == 1) cut_coul = cut_lj_global;
-  else cut_coul = atof(arg[1]);
+  else cut_coul = force->numeric(FLERR,arg[1]);
 
   // reset cutoffs that have been explicitly set
 
@@ -380,11 +380,11 @@ void PairLJCutDipoleLong::coeff(int narg, char **arg)
   force->bounds(arg[0],atom->ntypes,ilo,ihi);
   force->bounds(arg[1],atom->ntypes,jlo,jhi);
 
-  double epsilon_one = atof(arg[2]);
+  double epsilon_one = force->numeric(FLERR,arg[2]);
-  double sigma_one = atof(arg[3]);
+  double sigma_one = force->numeric(FLERR,arg[3]);
 
   double cut_lj_one = cut_lj_global;
-  if (narg == 5) cut_lj_one = atof(arg[4]);
+  if (narg == 5) cut_lj_one = force->numeric(FLERR,arg[4]);
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {

src/FLD/pair_brownian.cpp

@@ -375,18 +375,18 @@ void PairBrownian::settings(int narg, char **arg)
 {
   if (narg != 7 && narg != 9) error->all(FLERR,"Illegal pair_style command");
 
-  mu = atof(arg[0]);
+  mu = force->numeric(FLERR,arg[0]);
-  flaglog = atoi(arg[1]);
+  flaglog = force->inumeric(FLERR,arg[1]);
-  flagfld = atoi(arg[2]);
+  flagfld = force->inumeric(FLERR,arg[2]);
-  cut_inner_global = atof(arg[3]);
+  cut_inner_global = force->numeric(FLERR,arg[3]);
-  cut_global = atof(arg[4]);
+  cut_global = force->numeric(FLERR,arg[4]);
-  t_target = atof(arg[5]);
+  t_target = force->numeric(FLERR,arg[5]);
-  seed = atoi(arg[6]);
+  seed = force->inumeric(FLERR,arg[6]);
 
   flagHI = flagVF = 1;
   if (narg == 9) {
-    flagHI = atoi(arg[7]);
+    flagHI = force->inumeric(FLERR,arg[7]);
-    flagVF = atoi(arg[8]);
+    flagVF = force->inumeric(FLERR,arg[8]);
   }
 
   if (flaglog == 1 && flagHI == 0) {
@@ -431,8 +431,8 @@ void PairBrownian::coeff(int narg, char **arg)
   double cut_one = cut_global;
 
   if (narg == 4) {
-    cut_inner_one = atof(arg[2]);
+    cut_inner_one = force->numeric(FLERR,arg[2]);
-    cut_one = atof(arg[3]);
+    cut_one = force->numeric(FLERR,arg[3]);
   }
 
   int count = 0;

src/FLD/pair_lubricate.cpp

@@ -486,16 +486,16 @@ void PairLubricate::settings(int narg, char **arg)
 {
   if (narg != 5 && narg != 7) error->all(FLERR,"Illegal pair_style command");
 
-  mu = atof(arg[0]);
+  mu = force->numeric(FLERR,arg[0]);
-  flaglog = atoi(arg[1]);
+  flaglog = force->inumeric(FLERR,arg[1]);
-  flagfld = atoi(arg[2]);
+  flagfld = force->inumeric(FLERR,arg[2]);
-  cut_inner_global = atof(arg[3]);
+  cut_inner_global = force->numeric(FLERR,arg[3]);
-  cut_global = atof(arg[4]);
+  cut_global = force->numeric(FLERR,arg[4]);
 
   flagHI = flagVF = 1;
   if (narg == 7) {
-    flagHI = atoi(arg[5]);
+    flagHI = force->inumeric(FLERR,arg[5]);
-    flagVF = atoi(arg[6]);
+    flagVF = force->inumeric(FLERR,arg[6]);
   }
 
   if (flaglog == 1 && flagHI == 0) {
@@ -534,8 +534,8 @@ void PairLubricate::coeff(int narg, char **arg)
   double cut_inner_one = cut_inner_global;
   double cut_one = cut_global;
   if (narg == 4) {
-    cut_inner_one = atof(arg[2]);
+    cut_inner_one = force->numeric(FLERR,arg[2]);
-    cut_one = atof(arg[3]);
+    cut_one = force->numeric(FLERR,arg[3]);
   }
 
   int count = 0;

src/FLD/pair_lubricateU.cpp

@@ -1761,16 +1761,16 @@ void PairLubricateU::settings(int narg, char **arg)
 {
   if (narg != 5 && narg != 7) error->all(FLERR,"Illegal pair_style command");
 
-  mu = atof(arg[0]);
+  mu = force->numeric(FLERR,arg[0]);
-  flaglog = atoi(arg[1]);
+  flaglog = force->inumeric(FLERR,arg[1]);
-  cut_inner_global = atof(arg[2]);
+  cut_inner_global = force->numeric(FLERR,arg[2]);
-  cut_global = atof(arg[3]);
+  cut_global = force->numeric(FLERR,arg[3]);
-  gdot =  atof(arg[4]);
+  gdot =  force->numeric(FLERR,arg[4]);
 
   flagHI = flagVF = 1;
   if (narg == 7) {
-    flagHI = atoi(arg[5]);
+    flagHI = force->inumeric(FLERR,arg[5]);
-    flagVF = atoi(arg[6]);
+    flagVF = force->inumeric(FLERR,arg[6]);
   }
 
   if (flaglog == 1 && flagHI == 0) {
@@ -1822,8 +1822,8 @@ void PairLubricateU::coeff(int narg, char **arg)
   double cut_inner_one = cut_inner_global;
   double cut_one = cut_global;
   if (narg == 4) {
-    cut_inner_one = atof(arg[2]);
+    cut_inner_one = force->numeric(FLERR,arg[2]);
-    cut_one = atof(arg[3]);
+    cut_one = force->numeric(FLERR,arg[3]);
   }
 
   int count = 0;

src/GRANULAR/fix_pour.cpp

@@ -53,9 +53,9 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
 
   // required args
 
-  ninsert = atoi(arg[3]);
+  ninsert = force->inumeric(FLERR,arg[3]);
-  ntype = atoi(arg[4]);
+  ntype = force->inumeric(FLERR,arg[4]);
-  seed = atoi(arg[5]);
+  seed = force->inumeric(FLERR,arg[5]);
 
   if (seed <= 0) error->all(FLERR,"Illegal fix pour command");
 
@@ -86,20 +86,20 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
       if (strcmp(arg[iarg+1],"one") == 0) {
         if (iarg+3 > narg) error->all(FLERR,"Illegal fix pour command");
         dstyle = ONE;
-        radius_one = 0.5 * atof(arg[iarg+2]);
+        radius_one = 0.5 * force->numeric(FLERR,arg[iarg+2]);
         radius_max = radius_one;
         iarg += 3;
       } else if (strcmp(arg[iarg+1],"range") == 0) {
         if (iarg+4 > narg) error->all(FLERR,"Illegal fix pour command");
         dstyle = RANGE;
-        radius_lo = 0.5 * atof(arg[iarg+2]);
+        radius_lo = 0.5 * force->numeric(FLERR,arg[iarg+2]);
-        radius_hi = 0.5 * atof(arg[iarg+3]);
+        radius_hi = 0.5 * force->numeric(FLERR,arg[iarg+3]);
         radius_max = radius_hi;
         iarg += 4;
       } else if (strcmp(arg[iarg+1],"poly") == 0) {
         if (iarg+3 > narg) error->all(FLERR,"Illegal fix pour command");
         dstyle = POLY;
-        npoly = atoi(arg[iarg+2]);
+        npoly = force->inumeric(FLERR,arg[iarg+2]);
         if (npoly <= 0) error->all(FLERR,"Illegal fix pour command");
         if (iarg+3 + 2*npoly > narg) 
           error->all(FLERR,"Illegal fix pour command");
@@ -108,8 +108,8 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
         iarg += 3;
         radius_max = 0.0;
         for (int i = 0; i < npoly; i++) {
-          radius_poly[i] = 0.5 * atof(arg[iarg++]);
+          radius_poly[i] = 0.5 * force->numeric(FLERR,arg[iarg++]);
-          frac_poly[i] = atof(arg[iarg++]);
+          frac_poly[i] = force->numeric(FLERR,arg[iarg++]);
           if (radius_poly[i] <= 0.0 || frac_poly[i] < 0.0)
             error->all(FLERR,"Illegal fix pour command");
           radius_max = MAX(radius_max,radius_poly[i]);
@@ -124,32 +124,32 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) :
 
     } else if (strcmp(arg[iarg],"dens") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix pour command");
-      density_lo = atof(arg[iarg+1]);
+      density_lo = force->numeric(FLERR,arg[iarg+1]);
-      density_hi = atof(arg[iarg+2]);
+      density_hi = force->numeric(FLERR,arg[iarg+2]);
       iarg += 3;
     } else if (strcmp(arg[iarg],"vol") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix pour command");
-      volfrac = atof(arg[iarg+1]);
+      volfrac = force->numeric(FLERR,arg[iarg+1]);
-      maxattempt = atoi(arg[iarg+2]);
+      maxattempt = force->inumeric(FLERR,arg[iarg+2]);
       iarg += 3;
     } else if (strcmp(arg[iarg],"rate") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix pour command");
-      rate = atof(arg[iarg+1]);
+      rate = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"vel") == 0) {
       if (domain->dimension == 3) {
         if (iarg+6 > narg) error->all(FLERR,"Illegal fix pour command");
-        vxlo = atof(arg[iarg+1]);
+        vxlo = force->numeric(FLERR,arg[iarg+1]);
-        vxhi = atof(arg[iarg+2]);
+        vxhi = force->numeric(FLERR,arg[iarg+2]);
-        vylo = atof(arg[iarg+3]);
+        vylo = force->numeric(FLERR,arg[iarg+3]);
-        vyhi = atof(arg[iarg+4]);
+        vyhi = force->numeric(FLERR,arg[iarg+4]);
-        vz = atof(arg[iarg+5]);
+        vz = force->numeric(FLERR,arg[iarg+5]);
         iarg += 6;
       } else {
         if (iarg+4 > narg) error->all(FLERR,"Illegal fix pour command");
-        vxlo = atof(arg[iarg+1]);
+        vxlo = force->numeric(FLERR,arg[iarg+1]);
-        vxhi = atof(arg[iarg+2]);
+        vxhi = force->numeric(FLERR,arg[iarg+2]);
-        vy = atof(arg[iarg+3]);
+        vy = force->numeric(FLERR,arg[iarg+3]);
         vz = 0.0;
         iarg += 4;
       }

src/GRANULAR/fix_wall_gran.cpp

@@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
 
-enum{XPLANE,YPLANE,ZPLANE,ZCYLINDER};    // XYZ PLANE need to be 0,1,2
+enum{XPLANE=0,YPLANE=1,ZPLANE=2,ZCYLINDER};    // XYZ PLANE need to be 0,1,2
 enum{HOOKE,HOOKE_HISTORY,HERTZ_HISTORY};
 
 #define BIG 1.0e20
@@ -54,16 +54,16 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
 
   // wall/particle coefficients
 
-  kn = atof(arg[3]);
+  kn = force->numeric(FLERR,arg[3]);
   if (strcmp(arg[4],"NULL") == 0) kt = kn * 2.0/7.0;
-  else kt = atof(arg[4]);
+  else kt = force->numeric(FLERR,arg[4]);
 
-  gamman = atof(arg[5]);
+  gamman = force->numeric(FLERR,arg[5]);
   if (strcmp(arg[6],"NULL") == 0) gammat = 0.5 * gamman;
-  else gammat = atof(arg[6]);
+  else gammat = force->numeric(FLERR,arg[6]);
 
-  xmu = atof(arg[7]);
+  xmu = force->numeric(FLERR,arg[7]);
-  int dampflag = atoi(arg[8]);
+  int dampflag = force->inumeric(FLERR,arg[8]);
   if (dampflag == 0) gammat = 0.0;
 
   if (kn < 0.0 || kt < 0.0 || gamman < 0.0 || gammat < 0.0 ||
@@ -84,31 +84,31 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
     if (narg < iarg+3) error->all(FLERR,"Illegal fix wall/gran command");
     wallstyle = XPLANE;
     if (strcmp(arg[iarg+1],"NULL") == 0) lo = -BIG;
-    else lo = atof(arg[iarg+1]);
+    else lo = force->numeric(FLERR,arg[iarg+1]);
     if (strcmp(arg[iarg+2],"NULL") == 0) hi = BIG;
-    else hi = atof(arg[iarg+2]);
+    else hi = force->numeric(FLERR,arg[iarg+2]);
     iarg += 3;
   } else if (strcmp(arg[iarg],"yplane") == 0) {
     if (narg < iarg+3) error->all(FLERR,"Illegal fix wall/gran command");
     wallstyle = YPLANE;
     if (strcmp(arg[iarg+1],"NULL") == 0) lo = -BIG;
-    else lo = atof(arg[iarg+1]);
+    else lo = force->numeric(FLERR,arg[iarg+1]);
     if (strcmp(arg[iarg+2],"NULL") == 0) hi = BIG;
-    else hi = atof(arg[iarg+2]);
+    else hi = force->numeric(FLERR,arg[iarg+2]);
     iarg += 3;
   } else if (strcmp(arg[iarg],"zplane") == 0) {
     if (narg < iarg+3) error->all(FLERR,"Illegal fix wall/gran command");
     wallstyle = ZPLANE;
     if (strcmp(arg[iarg+1],"NULL") == 0) lo = -BIG;
-    else lo = atof(arg[iarg+1]);
+    else lo = force->numeric(FLERR,arg[iarg+1]);
     if (strcmp(arg[iarg+2],"NULL") == 0) hi = BIG;
-    else hi = atof(arg[iarg+2]);
+    else hi = force->numeric(FLERR,arg[iarg+2]);
     iarg += 3;
   } else if (strcmp(arg[iarg],"zcylinder") == 0) {
     if (narg < iarg+2) error->all(FLERR,"Illegal fix wall/gran command");
     wallstyle = ZCYLINDER;
     lo = hi = 0.0;
-    cylradius = atof(arg[iarg+1]);
+    cylradius = force->numeric(FLERR,arg[iarg+1]);
     iarg += 2;
   }
 
@@ -124,8 +124,8 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
       else if (strcmp(arg[iarg+1],"y") == 0) axis = 1;
       else if (strcmp(arg[iarg+1],"z") == 0) axis = 2;
       else error->all(FLERR,"Illegal fix wall/gran command");
-      amplitude = atof(arg[iarg+2]);
+      amplitude = force->numeric(FLERR,arg[iarg+2]);
-      period = atof(arg[iarg+3]);
+      period = force->numeric(FLERR,arg[iarg+3]);
       wiggle = 1;
       iarg += 4;
     } else if (strcmp(arg[iarg],"shear") == 0) {
@@ -134,7 +134,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
       else if (strcmp(arg[iarg+1],"y") == 0) axis = 1;
       else if (strcmp(arg[iarg+1],"z") == 0) axis = 2;
       else error->all(FLERR,"Illegal fix wall/gran command");
-      vshear = atof(arg[iarg+2]);
+      vshear = force->numeric(FLERR,arg[iarg+2]);
       wshear = 1;
       iarg += 3;
     } else error->all(FLERR,"Illegal fix wall/gran command");

src/KSPACE/ewald.cpp

@@ -48,7 +48,7 @@ Ewald::Ewald(LAMMPS *lmp, int narg, char **arg) : KSpace(lmp, narg, arg)
   group_group_enable = 1;
   group_allocate_flag = 0;
 
-  accuracy_relative = atof(arg[0]);
+  accuracy_relative = fabs(force->numeric(FLERR,arg[0]));
 
   kmax = 0;
   kxvecs = kyvecs = kzvecs = NULL;

src/KSPACE/ewald_disp.cpp

@@ -50,7 +50,7 @@ EwaldDisp::EwaldDisp(LAMMPS *lmp, int narg, char **arg) : KSpace(lmp, narg, arg)
   if (narg!=1) error->all(FLERR,"Illegal kspace_style ewald/n command");
 
   ewaldflag = dispersionflag = dipoleflag = 1;
-  accuracy_relative = fabs(atof(arg[0]));
+  accuracy_relative = fabs(force->numeric(FLERR,arg[0]));
 
   memset(function, 0, EWALD_NORDER*sizeof(int));
   kenergy = kvirial = NULL;

src/KSPACE/msm.cpp

@@ -51,7 +51,7 @@ MSM::MSM(LAMMPS *lmp, int narg, char **arg) : KSpace(lmp, narg, arg)
 
   msmflag = 1;
 
-  accuracy_relative = atof(arg[0]);
+  accuracy_relative = fabs(force->numeric(FLERR,arg[0]));
 
   nfactors = 1;
   factors = new int[nfactors];
@@ -298,7 +298,7 @@ double MSM::estimate_cutoff(double h, double prd)
   a = C_p*pow(h,(p-1))/accuracy;
 
   // include dependency of error on other terms
-  a *= q2/(prd*sqrt(atom->natoms));
+  a *= q2/(prd*sqrt(double(atom->natoms)));
 
   a = pow(a,1.0/double(p));
 
@@ -349,7 +349,7 @@ double MSM::estimate_1d_error(double h, double prd)
   double error_1d = C_p*pow(h,(p-1))/pow(a,(p+1));
 
   // include dependency of error on other terms
-  error_1d *= q2*a/(prd*sqrt(atom->natoms));
+  error_1d *= q2*a/(prd*sqrt(double(atom->natoms)));
 
   return error_1d;
 }

src/KSPACE/msm_cg.cpp

@@ -50,7 +50,7 @@ MSMCG::MSMCG(LAMMPS *lmp, int narg, char **arg) : MSM(lmp, narg, arg)
 
   triclinic_support = 0;
 
-  if (narg == 2) smallq = atof(arg[1]);
+  if (narg == 2) smallq = fabs(force->numeric(FLERR,arg[1]));
   else smallq = SMALLQ;
 
   num_charged = -1;

src/KSPACE/pppm.cpp

@@ -72,7 +72,7 @@ PPPM::PPPM(LAMMPS *lmp, int narg, char **arg) : KSpace(lmp, narg, arg)
   pppmflag = 1;
   group_group_enable = 1;
 
-  accuracy_relative = atof(arg[0]);
+  accuracy_relative = fabs(force->numeric(FLERR,arg[0]));
 
   nfactors = 3;
   factors = new int[nfactors];

src/KSPACE/pppm_cg.cpp

@@ -55,7 +55,7 @@ PPPMCG::PPPMCG(LAMMPS *lmp, int narg, char **arg) : PPPM(lmp, narg, arg)
 
   triclinic_support = 0;
 
-  if (narg == 2) smallq = atof(arg[1]);
+  if (narg == 2) smallq = fabs(force->numeric(FLERR,arg[1]));
   else smallq = SMALLQ;
 
   num_charged = -1;

src/MC/fix_bond_break.cpp

@@ -39,7 +39,7 @@ FixBondBreak::FixBondBreak(LAMMPS *lmp, int narg, char **arg) :
 
   MPI_Comm_rank(world,&me);
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
   if (nevery <= 0) error->all(FLERR,"Illegal fix bond/break command");
 
   force_reneighbor = 1;
@@ -49,8 +49,8 @@ FixBondBreak::FixBondBreak(LAMMPS *lmp, int narg, char **arg) :
   global_freq = 1;
   extvector = 0;
 
-  btype = atoi(arg[4]);
+  btype = force->inumeric(FLERR,arg[4]);
-  double cutoff = atof(arg[5]);
+  double cutoff = force->numeric(FLERR,arg[5]);
 
   if (btype < 1 || btype > atom->nbondtypes)
     error->all(FLERR,"Invalid bond type in fix bond/break command");
@@ -67,8 +67,8 @@ FixBondBreak::FixBondBreak(LAMMPS *lmp, int narg, char **arg) :
   while (iarg < narg) {
     if (strcmp(arg[iarg],"prob") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix bond/break command");
-      fraction = atof(arg[iarg+1]);
+      fraction = force->numeric(FLERR,arg[iarg+1]);
-      seed = atoi(arg[iarg+2]);
+      seed = force->inumeric(FLERR,arg[iarg+2]);
       if (fraction < 0.0 || fraction > 1.0)
         error->all(FLERR,"Illegal fix bond/break command");
       if (seed <= 0) error->all(FLERR,"Illegal fix bond/break command");

src/MC/fix_bond_create.cpp

@@ -43,7 +43,7 @@ FixBondCreate::FixBondCreate(LAMMPS *lmp, int narg, char **arg) :
 
   MPI_Comm_rank(world,&me);
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
   if (nevery <= 0) error->all(FLERR,"Illegal fix bond/create command");
 
   force_reneighbor = 1;
@@ -53,10 +53,10 @@ FixBondCreate::FixBondCreate(LAMMPS *lmp, int narg, char **arg) :
   global_freq = 1;
   extvector = 0;
 
-  iatomtype = atoi(arg[4]);
+  iatomtype = force->inumeric(FLERR,arg[4]);
-  jatomtype = atoi(arg[5]);
+  jatomtype = force->inumeric(FLERR,arg[5]);
-  double cutoff = atof(arg[6]);
+  double cutoff = force->numeric(FLERR,arg[6]);
-  btype = atoi(arg[7]);
+  btype = force->inumeric(FLERR,arg[7]);
 
   if (iatomtype < 1 || iatomtype > atom->ntypes ||
       jatomtype < 1 || jatomtype > atom->ntypes)
@@ -80,24 +80,24 @@ FixBondCreate::FixBondCreate(LAMMPS *lmp, int narg, char **arg) :
   while (iarg < narg) {
     if (strcmp(arg[iarg],"iparam") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix bond/create command");
-      imaxbond = atoi(arg[iarg+1]);
+      imaxbond = force->inumeric(FLERR,arg[iarg+1]);
-      inewtype = atoi(arg[iarg+2]);
+      inewtype = force->inumeric(FLERR,arg[iarg+2]);
       if (imaxbond < 0) error->all(FLERR,"Illegal fix bond/create command");
       if (inewtype < 1 || inewtype > atom->ntypes)
         error->all(FLERR,"Invalid atom type in fix bond/create command");
       iarg += 3;
     } else if (strcmp(arg[iarg],"jparam") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix bond/create command");
-      jmaxbond = atoi(arg[iarg+1]);
+      jmaxbond = force->inumeric(FLERR,arg[iarg+1]);
-      jnewtype = atoi(arg[iarg+2]);
+      jnewtype = force->inumeric(FLERR,arg[iarg+2]);
       if (jmaxbond < 0) error->all(FLERR,"Illegal fix bond/create command");
       if (jnewtype < 1 || jnewtype > atom->ntypes)
         error->all(FLERR,"Invalid atom type in fix bond/create command");
       iarg += 3;
     } else if (strcmp(arg[iarg],"prob") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix bond/create command");
-      fraction = atof(arg[iarg+1]);
+      fraction = force->numeric(FLERR,arg[iarg+1]);
-      seed = atoi(arg[iarg+2]);
+      seed = force->inumeric(FLERR,arg[iarg+2]);
       if (fraction < 0.0 || fraction > 1.0)
         error->all(FLERR,"Illegal fix bond/create command");
       if (seed <= 0) error->all(FLERR,"Illegal fix bond/create command");

src/MC/fix_bond_swap.cpp

@@ -49,13 +49,13 @@ FixBondSwap::FixBondSwap(LAMMPS *lmp, int narg, char **arg) :
   global_freq = 1;
   extvector = 0;
 
-  fraction = atof(arg[3]);
+  fraction = force->numeric(FLERR,arg[3]);
-  double cutoff = atof(arg[4]);
+  double cutoff = force->numeric(FLERR,arg[4]);
   cutsq = cutoff*cutoff;
 
   // initialize Marsaglia RNG with processor-unique seed
 
-  int seed = atoi(arg[5]);
+  int seed = force->inumeric(FLERR,arg[5]);
   random = new RanMars(lmp,seed + comm->me);
 
   // create a new compute temp style

src/MC/fix_gcmc.cpp

@@ -58,14 +58,14 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) :
 
   // required args
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
-  nexchanges = atoi(arg[4]);
+  nexchanges = force->inumeric(FLERR,arg[4]);
-  nmcmoves = atoi(arg[5]);
+  nmcmoves = force->inumeric(FLERR,arg[5]);
-  ngcmc_type = atoi(arg[6]);
+  ngcmc_type = force->inumeric(FLERR,arg[6]);
-  seed = atoi(arg[7]);
+  seed = force->inumeric(FLERR,arg[7]);
-  reservoir_temperature = atof(arg[8]);
+  reservoir_temperature = force->numeric(FLERR,arg[8]);
-  chemical_potential = atof(arg[9]);
+  chemical_potential = force->numeric(FLERR,arg[9]);
-  displace = atof(arg[10]);
+  displace = force->numeric(FLERR,arg[10]);
 
   if (nexchanges < 0) error->all(FLERR,"Illegal fix gcmc command");
   if (nmcmoves < 0) error->all(FLERR,"Illegal fix gcmc command");
@@ -199,17 +199,17 @@ void FixGCMC::options(int narg, char **arg)
       iarg += 2;
     } else if (strcmp(arg[iarg],"maxangle") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command");
-      max_rotation_angle = atof(arg[iarg+1]);
+      max_rotation_angle = force->numeric(FLERR,arg[iarg+1]);
       max_rotation_angle *= MY_PI/180;
       iarg += 2;
     } else if (strcmp(arg[iarg],"pressure") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command");
-      pressure = atof(arg[iarg+1]);
+      pressure = force->numeric(FLERR,arg[iarg+1]);
       pressure_flag = true;
       iarg += 2;
     } else if (strcmp(arg[iarg],"fugacity_coeff") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix gcmc command");
-      fugacity_coeff = atof(arg[iarg+1]);
+      fugacity_coeff = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else error->all(FLERR,"Illegal fix gcmc command");
   }

src/MOLECULE/angle_cosine_periodic.cpp

@@ -207,9 +207,9 @@ void AngleCosinePeriodic::coeff(int narg, char **arg)
   int ilo,ihi;
   force->bounds(arg[0],atom->nangletypes,ilo,ihi);
 
-  double c_one = atof(arg[1]);
+  double c_one = force->numeric(FLERR,arg[1]);
-  int b_one = atoi(arg[2]);
+  int b_one = force->inumeric(FLERR,arg[2]);
-  int n_one = atoi(arg[3]);
+  int n_one = force->inumeric(FLERR,arg[3]);
   if (n_one <= 0) error->all(FLERR,"Incorrect args for angle coefficients");
 
   int count = 0;

src/MOLECULE/improper_umbrella.cpp

@@ -260,8 +260,8 @@ void ImproperUmbrella::coeff(int narg, char **arg)
   int ilo,ihi;
   force->bounds(arg[0],atom->nimpropertypes,ilo,ihi);
 
-  double k_one = atof(arg[1]);
+  double k_one = force->numeric(FLERR,arg[1]);
-  double w_one = atof(arg[2]);
+  double w_one = force->numeric(FLERR,arg[2]);
 
   // convert w0 from degrees to radians
 

src/PERI/pair_peri_lps.cpp

@@ -374,11 +374,11 @@ void PairPeriLPS::coeff(int narg, char **arg)
   force->bounds(arg[0],atom->ntypes,ilo,ihi);
   force->bounds(arg[1],atom->ntypes,jlo,jhi);
 
-  double bulkmodulus_one = atof(arg[2]);
+  double bulkmodulus_one = force->numeric(FLERR,arg[2]);
-  double shearmodulus_one = atof(arg[3]);
+  double shearmodulus_one = force->numeric(FLERR,arg[3]);
-  double cut_one = atof(arg[4]);
+  double cut_one = force->numeric(FLERR,arg[4]);
-  double s00_one = atof(arg[5]);
+  double s00_one = force->numeric(FLERR,arg[5]);
-  double alpha_one = atof(arg[6]);
+  double alpha_one = force->numeric(FLERR,arg[6]);
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {

src/REAX/fix_reax_bonds.cpp

@@ -41,7 +41,7 @@ FixReaxBonds::FixReaxBonds(LAMMPS *lmp, int narg, char **arg) :
 
   MPI_Comm_rank(world,&me);
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
   if (nevery < 1) error->all(FLERR,"Illegal fix reax/bonds command");
 
   if (me == 0) {

src/REPLICA/compute_event_displace.cpp

@@ -26,6 +26,7 @@
 #include "fix_event.h"
 #include "memory.h"
 #include "error.h"
+#include "force.h"
 #include "update.h"
 
 using namespace LAMMPS_NS;
@@ -42,7 +43,7 @@ ComputeEventDisplace::ComputeEventDisplace(LAMMPS *lmp, int narg, char **arg) :
   scalar_flag = 1;
   extscalar = 0;
 
-  double displace_dist = atof(arg[3]);
+  double displace_dist = force->numeric(FLERR,arg[3]);
   if (displace_dist <= 0.0)
     error->all(FLERR,"Distance must be > 0 for compute event/displace");
   displace_distsq = displace_dist * displace_dist;

src/REPLICA/fix_neb.cpp

@@ -24,6 +24,7 @@
 #include "atom.h"
 #include "memory.h"
 #include "error.h"
+#include "force.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -35,7 +36,7 @@ FixNEB::FixNEB(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg != 4) error->all(FLERR,"Illegal fix neb command");
 
-  kspring = atof(arg[3]);
+  kspring = force->numeric(FLERR,arg[3]);
   if (kspring <= 0.0) error->all(FLERR,"Illegal fix neb command");
 
   // nreplica = number of partitions

src/RIGID/fix_rigid.cpp

@@ -161,7 +161,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
   } else if (strcmp(arg[3],"group") == 0) {
     if (narg < 5) error->all(FLERR,"Illegal fix rigid command");
     rstyle = GROUP;
-    nbody = atoi(arg[4]);
+    nbody = force->inumeric(FLERR,arg[4]);
     if (nbody <= 0) error->all(FLERR,"Illegal fix rigid command");
     if (narg < 5+nbody) error->all(FLERR,"Illegal fix rigid command");
     iarg = 5+nbody;
@@ -330,10 +330,10 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       if (strcmp(style,"rigid") != 0 && strcmp(style,"rigid/nve") != 0)
         error->all(FLERR,"Illegal fix rigid command");
       langflag = 1;
-      t_start = atof(arg[iarg+1]);
+      t_start = force->numeric(FLERR,arg[iarg+1]);
-      t_stop = atof(arg[iarg+2]);
+      t_stop = force->numeric(FLERR,arg[iarg+2]);
-      t_period = atof(arg[iarg+3]);
+      t_period = force->numeric(FLERR,arg[iarg+3]);
-      seed = atoi(arg[iarg+4]);
+      seed = force->inumeric(FLERR,arg[iarg+4]);
       if (t_period <= 0.0)
         error->all(FLERR,"Fix rigid langevin period must be > 0.0");
       if (seed <= 0) error->all(FLERR,"Illegal fix rigid command");
@@ -344,9 +344,9 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       if (strcmp(style,"rigid/nvt") != 0 && strcmp(style,"rigid/npt") != 0)
         error->all(FLERR,"Illegal fix rigid command");
       tstat_flag = 1;
-      t_start = atof(arg[iarg+1]);
+      t_start = force->numeric(FLERR,arg[iarg+1]);
-      t_stop = atof(arg[iarg+2]);
+      t_stop = force->numeric(FLERR,arg[iarg+2]);
-      t_period = atof(arg[iarg+3]);
+      t_period = force->numeric(FLERR,arg[iarg+3]);
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"iso") == 0) {
@@ -354,9 +354,9 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       if (strcmp(style,"rigid/npt") != 0 && strcmp(style,"rigid/nph") != 0)
 	      error->all(FLERR,"Illegal fix rigid command");
       pcouple = XYZ;
-      p_start[0] = p_start[1] = p_start[2] = atof(arg[iarg+1]);
+      p_start[0] = p_start[1] = p_start[2] = force->numeric(FLERR,arg[iarg+1]);
-      p_stop[0] = p_stop[1] = p_stop[2] = atof(arg[iarg+2]);
+      p_stop[0] = p_stop[1] = p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
-      p_period[0] = p_period[1] = p_period[2] = atof(arg[iarg+3]);
+      p_period[0] = p_period[1] = p_period[2] = force->numeric(FLERR,arg[iarg+3]);
       p_flag[0] = p_flag[1] = p_flag[2] = 1;
       if (dimension == 2) {
 	      p_start[2] = p_stop[2] = p_period[2] = 0.0;
@@ -368,9 +368,9 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix rigid command");
       if (strcmp(style,"rigid/npt") != 0 && strcmp(style,"rigid/nph") != 0)
 	      error->all(FLERR,"Illegal fix rigid command");
-      p_start[0] = p_start[1] = p_start[2] = atof(arg[iarg+1]);
+      p_start[0] = p_start[1] = p_start[2] = force->numeric(FLERR,arg[iarg+1]);
-      p_stop[0] = p_stop[1] = p_stop[2] = atof(arg[iarg+2]);
+      p_stop[0] = p_stop[1] = p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
-      p_period[0] = p_period[1] = p_period[2] = atof(arg[iarg+3]);
+      p_period[0] = p_period[1] = p_period[2] = force->numeric(FLERR,arg[iarg+3]);
       p_flag[0] = p_flag[1] = p_flag[2] = 1;
       if (dimension == 2) {
       	p_start[2] = p_stop[2] = p_period[2] = 0.0;
@@ -380,25 +380,25 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
 
     } else if (strcmp(arg[iarg],"x") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix rigid command");
-      p_start[0] = atof(arg[iarg+1]);
+      p_start[0] = force->numeric(FLERR,arg[iarg+1]);
-      p_stop[0] = atof(arg[iarg+2]);
+      p_stop[0] = force->numeric(FLERR,arg[iarg+2]);
-      p_period[0] = atof(arg[iarg+3]);
+      p_period[0] = force->numeric(FLERR,arg[iarg+3]);
       p_flag[0] = 1;
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"y") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix rigid command");
-      p_start[1] = atof(arg[iarg+1]);
+      p_start[1] = force->numeric(FLERR,arg[iarg+1]);
-      p_stop[1] = atof(arg[iarg+2]);
+      p_stop[1] = force->numeric(FLERR,arg[iarg+2]);
-      p_period[1] = atof(arg[iarg+3]);
+      p_period[1] = force->numeric(FLERR,arg[iarg+3]);
       p_flag[1] = 1;
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"z") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix rigid command");
-      p_start[2] = atof(arg[iarg+1]);
+      p_start[2] = force->numeric(FLERR,arg[iarg+1]);
-      p_stop[2] = atof(arg[iarg+2]);
+      p_stop[2] = force->numeric(FLERR,arg[iarg+2]);
-      p_period[2] = atof(arg[iarg+3]);
+      p_period[2] = force->numeric(FLERR,arg[iarg+3]);
       p_flag[2] = 1;
       iarg += 4;
 
@@ -433,16 +433,16 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix rigid command");
       if (strcmp(style,"rigid/nvt") != 0 && strcmp(style,"rigid/npt") != 0)
         error->all(FLERR,"Illegal fix rigid command");
-      t_chain = atoi(arg[iarg+1]);
+      t_chain = force->inumeric(FLERR,arg[iarg+1]);
-      t_iter = atoi(arg[iarg+2]);
+      t_iter = force->inumeric(FLERR,arg[iarg+2]);
-      t_order = atoi(arg[iarg+3]);
+      t_order = force->inumeric(FLERR,arg[iarg+3]);
       iarg += 4;
 
     } else if (strcmp(arg[iarg],"pchain") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix rigid command");
       if (strcmp(style,"rigid/npt") != 0 && strcmp(style,"rigid/nph") != 0)
         error->all(FLERR,"Illegal fix rigid command");
-      p_chain = atoi(arg[iarg+1]);
+      p_chain = force->inumeric(FLERR,arg[iarg+1]);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"infile") == 0) {
@@ -901,7 +901,7 @@ void FixRigid::post_force(int vflag)
 void FixRigid::final_integrate()
 {
   int i,ibody;
-  double dtfm,xy,xz,yz;
+  double dtfm;
 
   // sum over atoms to get force and torque on rigid body
 
@@ -994,7 +994,7 @@ void FixRigid::final_integrate()
 ------------------------------------------------------------------------- */
 
 void FixRigid::no_squish_rotate(int k, double *p, double *q,
-                                double *inertia, double dt)
+                                double *inertia, double dt) const
 {
   double phi,c_phi,s_phi,kp[4],kq[4];
 
@@ -1239,7 +1239,7 @@ void FixRigid::deform(int flag)
 
 void FixRigid::set_xv()
 {
-  int ibody,itype;
+  int ibody;
   int xbox,ybox,zbox;
   double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
   double xy,xz,yz;
@@ -1416,9 +1416,7 @@ void FixRigid::set_xv()
 
 void FixRigid::set_v()
 {
-  int ibody,itype;
   int xbox,ybox,zbox;
-  double dx,dy,dz;
   double x0,x1,x2,v0,v1,v2,fc0,fc1,fc2,massone;
   double xy,xz,yz;
   double ione[3],exone[3],eyone[3],ezone[3],delta[3],vr[6];
@@ -1445,7 +1443,7 @@ void FixRigid::set_v()
 
   for (int i = 0; i < nlocal; i++) {
     if (body[i] < 0) continue;
-    ibody = body[i];
+    const int ibody = body[i];
 
     MathExtra::matvec(ex_space[ibody],ey_space[ibody],
                       ez_space[ibody],displace[i],delta);
@@ -1519,7 +1517,7 @@ void FixRigid::set_v()
 
     for (int i = 0; i < nlocal; i++) {
       if (body[i] < 0) continue;
-      ibody = body[i];
+      const int ibody = body[i];
 
       if (eflags[i] & SPHERE) {
         omega_one[i][0] = omega[ibody][0];
@@ -1558,7 +1556,7 @@ void FixRigid::set_v()
 
 void FixRigid::setup_bodies()
 {
-  int i,itype,ibody;
+  int i,ibody;
 
   // extended = 1 if any particle in a rigid body is finite size
   //              or has a dipole moment
@@ -1721,7 +1719,7 @@ void FixRigid::setup_bodies()
   // dx,dy,dz = coords relative to center-of-mass
   // symmetric 3x3 inertia tensor stored in Voigt notation as 6-vector
 
-  double dx,dy,dz,rad;
+  double dx,dy,dz;
 
   for (ibody = 0; ibody < nbody; ibody++)
     for (i = 0; i < 6; i++) sum[ibody][i] = 0.0;

src/RIGID/fix_rigid.h

@@ -127,7 +127,7 @@ class FixRigid : public Fix {
   int POINT,SPHERE,ELLIPSOID,LINE,TRIANGLE,DIPOLE;   // bitmasks for eflags
   int OMEGA,ANGMOM,TORQUE;
 
-  void no_squish_rotate(int, double *, double *, double *, double);
+  void no_squish_rotate(int, double *, double *, double *, double) const;
   void set_xv();
   void set_v();
   void setup_bodies();

src/RIGID/fix_rigid_small.cpp

@@ -108,10 +108,10 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
       if (strcmp(style,"rigid/small") != 0)
         error->all(FLERR,"Illegal fix rigid/small command");
       langflag = 1;
-      t_start = atof(arg[iarg+1]);
+      t_start = force->numeric(FLERR,arg[iarg+1]);
-      t_stop = atof(arg[iarg+2]);
+      t_stop = force->numeric(FLERR,arg[iarg+2]);
-      t_period = atof(arg[iarg+3]);
+      t_period = force->numeric(FLERR,arg[iarg+3]);
-      seed = atoi(arg[iarg+4]);
+      seed = force->inumeric(FLERR,arg[iarg+4]);
       if (t_period <= 0.0)
         error->all(FLERR,"Fix rigid/small langevin period must be > 0.0");
       if (seed <= 0) error->all(FLERR,"Illegal fix rigid/small command");
@@ -151,7 +151,6 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
       bodyown[i] = nlocal_body++;
     } else bodyown[i] = -1;
 
-
   // bodysize = sizeof(Body) in doubles
 
   bodysize = sizeof(Body)/sizeof(double);
@@ -218,11 +217,6 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
   random = NULL;
   if (langflag) random = new RanMars(lmp,seed + comm->me);
 
-  // mass vector for granular pair styles
-
-  mass_body = NULL;
-  nmax_mass = 0;
-
   // firstflag = 1 triggers one-time initialization of rigid body attributes
 
   firstflag = 1;
@@ -250,7 +244,6 @@ FixRigidSmall::~FixRigidSmall()
 
   delete random;
   memory->destroy(langextra);
-  memory->destroy(mass_body);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -1296,7 +1289,10 @@ void FixRigidSmall::create_bodies()
   n = 0;
   for (i = 0; i < nlocal; i++) {
     if (!(mask[i] & groupbit)) continue;
-    if (hash->find(molecule[i]) == hash->end()) (*hash)[molecule[i]] = n++;
+    if (hash->find(molecule[i]) == hash->end()) {
+      hash->insert(std::pair<int,int> (molecule[i],n));
+      n++;
+    }
   }
 
   // bbox = bounding box of each rigid body my atoms are part of
@@ -1556,7 +1552,7 @@ void FixRigidSmall::setup_bodies()
       atom->tri_flag || atom->mu_flag) {
     int flag = 0;
     for (i = 0; i < nlocal; i++) {
-      if (bodytag[i] == 0) continue;
+      if (atom2body[i] < 0) continue;
       if (radius && radius[i] > 0.0) flag = 1;
       if (ellipsoid && ellipsoid[i] >= 0) flag = 1;
       if (line && line[i] >= 0) flag = 1;
@@ -1581,7 +1577,7 @@ void FixRigidSmall::setup_bodies()
 
     for (i = 0; i < nlocal; i++) {
       eflags[i] = 0;
-      if (bodytag[i] == 0) continue;
+      if (atom2body[i] < 0) continue;
 
       // set to POINT or SPHERE or ELLIPSOID or LINE
 
@@ -2522,37 +2518,6 @@ void FixRigidSmall::reset_dt()
   dtq = 0.5 * update->dt;
 }
 
-/* ---------------------------------------------------------------------- */
-
-void *FixRigidSmall::extract(const char *str, int &dim)
-{
-  if (strcmp(str,"body") == 0) {
-    dim = 1;
-    return atom2body;
-  }
-
-  // return vector of rigid body masses, for owned+ghost bodies
-  // used by granular pair styles, indexed by atom2body
-
-  if (strcmp(str,"masstotal") == 0) {
-    dim = 1;
-
-    if (nmax_mass < nmax_body) {
-      memory->destroy(mass_body);
-      nmax_mass = nmax_body;
-      memory->create(mass_body,nmax_mass,"rigid:mass_body");
-    }
-
-    int n = nlocal_body + nghost_body;
-    for (int i = 0; i < n; i++)
-      mass_body[i] = body[i].mass;
-
-    return mass_body;
-  }
-
-  return NULL;
-}
-
 /* ----------------------------------------------------------------------
    return temperature of collection of rigid bodies
    non-active DOF are removed by fflag/tflag and in tfactor

src/SHOCK/fix_append_atoms.cpp

@@ -107,7 +107,7 @@ FixAppendAtoms::FixAppendAtoms(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Append boundary must be shrink/minimum");
     } else if (strcmp(arg[iarg],"freq") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix append/atoms command");
-      freq = atoi(arg[iarg+1]);
+      freq = force->inumeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"spatial") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix append/atoms command");
@@ -116,7 +116,7 @@ FixAppendAtoms::FixAppendAtoms(LAMMPS *lmp, int narg, char **arg) :
                    "Bad fix ID in fix append/atoms command");
       spatflag = 1;
       int n = strlen(arg[iarg+1]);
-      spatlead = atof(arg[iarg+2]);
+      spatlead = force->numeric(FLERR,arg[iarg+2]);
       char *suffix = new char[n];
       strcpy(suffix,&arg[iarg+1][2]);
       n = strlen(suffix) + 1;
@@ -126,15 +126,15 @@ FixAppendAtoms::FixAppendAtoms(LAMMPS *lmp, int narg, char **arg) :
       iarg += 3;
     } else if (strcmp(arg[iarg],"basis") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix append/atoms command");
-      int ibasis = atoi(arg[iarg+1]);
+      int ibasis = force->inumeric(FLERR,arg[iarg+1]);
-      int itype = atoi(arg[iarg+2]);
+      int itype = force->inumeric(FLERR,arg[iarg+2]);
       if (ibasis <= 0 || ibasis > nbasis || itype <= 0 || itype > atom->ntypes)
         error->all(FLERR,"Invalid basis setting in fix append/atoms command");
       basistype[ibasis-1] = itype;
       iarg += 3;
     } else if (strcmp(arg[iarg],"size") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix append/atoms command");
-      size = atof(arg[iarg+1]);
+      size = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"units") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix append/atoms command");
@@ -145,20 +145,20 @@ FixAppendAtoms::FixAppendAtoms(LAMMPS *lmp, int narg, char **arg) :
     } else if (strcmp(arg[iarg],"random") == 0) {
       if (iarg+5 > narg) error->all(FLERR,"Illegal fix append/atoms command");
       ranflag = 1;
-      ranx = atof(arg[iarg+1]);
+      ranx = force->numeric(FLERR,arg[iarg+1]);
-      rany = atof(arg[iarg+2]);
+      rany = force->numeric(FLERR,arg[iarg+2]);
-      ranz = atof(arg[iarg+3]);
+      ranz = force->numeric(FLERR,arg[iarg+3]);
-      xseed = atoi(arg[iarg+4]);
+      xseed = force->inumeric(FLERR,arg[iarg+4]);
       if (xseed <= 0) error->all(FLERR,"Illegal fix append/atoms command");
       randomx = new RanMars(lmp,xseed + comm->me);
       iarg += 5;
     } else if (strcmp(arg[iarg],"temp") == 0) {
       if (iarg+5 > narg) error->all(FLERR,"Illegal fix append/atoms command");
       tempflag = 1;
-      t_target = atof(arg[iarg+1]);
+      t_target = force->numeric(FLERR,arg[iarg+1]);
-      t_period = atof(arg[iarg+2]);
+      t_period = force->numeric(FLERR,arg[iarg+2]);
-      tseed    = atoi(arg[iarg+3]);
+      tseed    = force->inumeric(FLERR,arg[iarg+3]);
-      t_extent = atof(arg[iarg+4]);
+      t_extent = force->numeric(FLERR,arg[iarg+4]);
       if (t_target <= 0) error->all(FLERR,"Illegal fix append/atoms command");
       if (t_period <= 0) error->all(FLERR,"Illegal fix append/atoms command");
       if (t_extent <= 0) error->all(FLERR,"Illegal fix append/atoms command");

src/SHOCK/fix_msst.cpp

@@ -80,31 +80,31 @@ FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
     error->all(FLERR,"Illegal fix msst command");
   }
 
-  velocity = atof(arg[4]);
+  velocity = force->numeric(FLERR,arg[4]);
   if ( velocity < 0 )
     error->all(FLERR,"Illegal fix msst command");
 
   for ( int iarg = 5; iarg < narg; iarg++ ) {
     if ( strcmp(arg[iarg],"q") == 0 ) {
-      qmass = atof(arg[iarg+1]);
+      qmass = force->numeric(FLERR,arg[iarg+1]);
       iarg++;
     } else if ( strcmp(arg[iarg],"mu") == 0 ) {
-      mu = atof(arg[iarg+1]);
+      mu = force->numeric(FLERR,arg[iarg+1]);
       iarg++;
     } else if ( strcmp(arg[iarg],"p0") == 0 ) {
-      p0 = atof(arg[iarg+1]);
+      p0 = force->numeric(FLERR,arg[iarg+1]);
       iarg++;
       p0_set = 1;
     } else if ( strcmp(arg[iarg],"v0") == 0 ) {
-      v0 = atof(arg[iarg+1]);
+      v0 = force->numeric(FLERR,arg[iarg+1]);
       v0_set = 1;
       iarg++;
     } else if ( strcmp(arg[iarg],"e0") == 0 ) {
-      e0 = atof(arg[iarg+1]);
+      e0 = force->numeric(FLERR,arg[iarg+1]);
       e0_set = 1;
       iarg++;
     } else if ( strcmp(arg[iarg],"tscale") == 0 ) {
-      tscale = atof(arg[iarg+1]);
+      tscale = force->numeric(FLERR,arg[iarg+1]);
       if (tscale < 0.0 || tscale > 1.0)
         error->all(FLERR,"Fix msst tscale must satisfy 0 <= tscale < 1");
       iarg++;

src/SHOCK/fix_nphug.cpp

@@ -442,17 +442,17 @@ int FixNPHug::modify_param(int narg, char **arg)
 {
   if (strcmp(arg[0],"e0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug command");
-    e0 = atof(arg[1]);
+    e0 = force->numeric(FLERR,arg[1]);
     e0_set = 1;
     return 2;
   } else if (strcmp(arg[0],"v0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug command");
-    v0 = atof(arg[1]);
+    v0 = force->numeric(FLERR,arg[1]);
     v0_set = 1;
     return 2;
   } else if (strcmp(arg[0],"p0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug command");
-    p0 = atof(arg[1]);
+    p0 = force->numeric(FLERR,arg[1]);
     p0_set = 1;
     return 2;
   }

src/SHOCK/fix_wall_piston.cpp

@@ -73,23 +73,23 @@ FixWallPiston::FixWallPiston(LAMMPS *lmp, int narg, char **arg) :
       error->all(FLERR,"Fix wall/piston command only available at zlo");
     else if (strcmp(arg[iarg],"vel") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix wall/piston command");
-      vx = atof(arg[iarg+1]);
+      vx = force->numeric(FLERR,arg[iarg+1]);
-      vy = atof(arg[iarg+2]);
+      vy = force->numeric(FLERR,arg[iarg+2]);
-      vz = atof(arg[iarg+3]);
+      vz = force->numeric(FLERR,arg[iarg+3]);
       iarg += 4;
     } else if (strcmp(arg[iarg],"pos") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix wall/piston command");
-      x0 = atof(arg[iarg+1]);
+      x0 = force->numeric(FLERR,arg[iarg+1]);
-      y0 = atof(arg[iarg+2]);
+      y0 = force->numeric(FLERR,arg[iarg+2]);
-      z0 = atof(arg[iarg+3]);
+      z0 = force->numeric(FLERR,arg[iarg+3]);
       iarg += 4;
     } else if (strcmp(arg[iarg],"temp") == 0) {
       if (iarg+5 > narg) error->all(FLERR,"Illegal fix wall/piston command");
       tempflag = 1;
-      t_target = atof(arg[iarg+1]);
+      t_target = force->numeric(FLERR,arg[iarg+1]);
-      t_period = atof(arg[iarg+2]);
+      t_period = force->numeric(FLERR,arg[iarg+2]);
-      tseed    = atoi(arg[iarg+3]);
+      tseed    = force->inumeric(FLERR,arg[iarg+3]);
-      t_extent = atof(arg[iarg+4]);
+      t_extent = force->numeric(FLERR,arg[iarg+4]);
       if (t_target <= 0) error->all(FLERR,"Illegal fix wall/piston command");
       if (t_period <= 0) error->all(FLERR,"Illegal fix wall/piston command");
       if (t_extent <= 0) error->all(FLERR,"Illegal fix wall/piston command");
@@ -100,7 +100,7 @@ FixWallPiston::FixWallPiston(LAMMPS *lmp, int narg, char **arg) :
       iarg += 5;
     } else if (strcmp(arg[iarg],"rough") == 0) {
       roughflag = 1;
-      roughdist = atof(arg[iarg+1]);
+      roughdist = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"ramp") == 0) {
       rampflag = 1;

src/SRD/fix_srd.cpp

@@ -77,15 +77,15 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   global_freq = 1;
   extvector = 0;
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
 
   bigexist = 1;
   if (strcmp(arg[4],"NULL") == 0) bigexist = 0;
   else biggroup = group->find(arg[4]);
 
-  temperature_srd = atof(arg[5]);
+  temperature_srd = force->numeric(FLERR,arg[5]);
-  gridsrd = atof(arg[6]);
+  gridsrd = force->numeric(FLERR,arg[6]);
-  int seed = atoi(arg[7]);
+  int seed = force->inumeric(FLERR,arg[7]);
 
   // parse options
 
@@ -108,7 +108,7 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   while (iarg < narg) {
     if (strcmp(arg[iarg],"lamda") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix srd command");
-      lamda = atof(arg[iarg+1]);
+      lamda = force->numeric(FLERR,arg[iarg+1]);
       lamdaflag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"collision") == 0) {
@@ -138,22 +138,22 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
       iarg += 2;
     } else if (strcmp(arg[iarg],"radius") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix srd command");
-      radfactor = atof(arg[iarg+1]);
+      radfactor = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"bounce") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix srd command");
-      maxbounceallow = atoi(arg[iarg+1]);
+      maxbounceallow = force->inumeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"search") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix srd command");
-      gridsearch = atof(arg[iarg+1]);
+      gridsearch = force->numeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"cubic") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix srd command");
       if (strcmp(arg[iarg+1],"error") == 0) cubicflag = CUBIC_ERROR;
       else if (strcmp(arg[iarg+1],"warn") == 0) cubicflag = CUBIC_WARN;
       else error->all(FLERR,"Illegal fix srd command");
-      cubictol = atof(arg[iarg+2]);
+      cubictol = force->numeric(FLERR,arg[iarg+2]);
       iarg += 3;
     } else if (strcmp(arg[iarg],"shift") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix srd command");
@@ -161,7 +161,7 @@ FixSRD::FixSRD(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
       else if (strcmp(arg[iarg+1],"yes") == 0) shiftuser = SHIFT_YES;
       else if (strcmp(arg[iarg+1],"possible") == 0) shiftuser = SHIFT_POSSIBLE;
       else error->all(FLERR,"Illegal fix srd command");
-      shiftseed = atoi(arg[iarg+2]);
+      shiftseed = force->inumeric(FLERR,arg[iarg+2]);
       iarg += 3;
     } else if (strcmp(arg[iarg],"tstat") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix srd command");

src/SRD/fix_wall_srd.cpp

@@ -25,6 +25,7 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
+#include "force.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -77,7 +78,7 @@ FixWallSRD::FixWallSRD(LAMMPS *lmp, int narg, char **arg) :
         strcpy(varstr[nwall],&arg[iarg+1][2]);
       } else {
         wallstyle[nwall] = CONSTANT;
-        coord0[nwall] = atof(arg[iarg+1]);
+        coord0[nwall] = force->numeric(FLERR,arg[iarg+1]);
       }
 
       nwall++;

src/USER-AWPMD/pair_awpmd_cut.cpp

@@ -501,7 +501,7 @@ void PairAWPMDCut::coeff(int narg, char **arg)
   force->bounds(arg[1],atom->ntypes,jlo,jhi);
 
   double cut_one = cut_global;
-  if (narg == 3) cut_one = atof(arg[2]);
+  if (narg == 3) cut_one = force->numeric(FLERR,arg[2]);
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {

src/USER-CG-CMM/angle_cg_cmm.cpp

@@ -302,14 +302,14 @@ void AngleCGCMM::coeff(int narg, char **arg)
   int ilo,ihi;
   force->bounds(arg[0],atom->nangletypes,ilo,ihi);
 
-  double k_one = atof(arg[1]);
+  double k_one = force->numeric(FLERR,arg[1]);
-  double theta0_one = atof(arg[2]);
+  double theta0_one = force->numeric(FLERR,arg[2]);
 
   int cg_type_one=find_cg_type(arg[3]);
   if (cg_type_one == CG_NOT_SET) error->all(FLERR,"Error reading CG type flag.");
 
-  double epsilon_one = atof(arg[4]);
+  double epsilon_one = force->numeric(FLERR,arg[4]);
-  double sigma_one = atof(arg[5]);
+  double sigma_one = force->numeric(FLERR,arg[5]);
 
   // find minimum of LJ potential. we only want to include
   // the repulsive part of the 1-3 LJ.

src/USER-EFF/fix_temp_rescale_eff.cpp

@@ -42,17 +42,17 @@ FixTempRescaleEff::FixTempRescaleEff(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale/eff command");
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
   if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale/eff command");
 
   scalar_flag = 1;
   global_freq = nevery;
   extscalar = 1;
 
-  t_start = atof(arg[4]);
+  t_start = force->numeric(FLERR,arg[4]);
-  t_stop = atof(arg[5]);
+  t_stop = force->numeric(FLERR,arg[5]);
-  t_window = atof(arg[6]);
+  t_window = force->numeric(FLERR,arg[6]);
-  fraction = atof(arg[7]);
+  fraction = force->numeric(FLERR,arg[7]);
 
   // create a new compute temp/eff
   // id = fix-ID + temp, compute group = fix group

src/USER-EFF/pair_eff_cut.cpp

@@ -897,7 +897,7 @@ void PairEffCut::coeff(int narg, char **arg)
     force->bounds(arg[1],atom->ntypes,jlo,jhi);
 
     double cut_one = cut_global;
-    if (narg == 3) cut_one = atof(arg[2]);
+    if (narg == 3) cut_one = force->numeric(FLERR,arg[2]);
 
     int count = 0;
     for (int i = ilo; i <= ihi; i++) {

src/USER-MISC/fix_addtorque.cpp

@@ -56,7 +56,7 @@ FixAddTorque::FixAddTorque(LAMMPS *lmp, int narg, char **arg) :
     xstr = new char[n];
     strcpy(xstr,&arg[3][2]);
   } else {
-    xvalue = atof(arg[3]);
+    xvalue = force->numeric(FLERR,arg[3]);
     xstyle = CONSTANT;
   }
   if (strstr(arg[4],"v_") == arg[4]) {
@@ -64,7 +64,7 @@ FixAddTorque::FixAddTorque(LAMMPS *lmp, int narg, char **arg) :
     ystr = new char[n];
     strcpy(ystr,&arg[4][2]);
   } else {
-    yvalue = atof(arg[4]);
+    yvalue = force->numeric(FLERR,arg[4]);
     ystyle = CONSTANT;
   }
   if (strstr(arg[5],"v_") == arg[5]) {
@@ -72,7 +72,7 @@ FixAddTorque::FixAddTorque(LAMMPS *lmp, int narg, char **arg) :
     zstr = new char[n];
     strcpy(zstr,&arg[5][2]);
   } else {
-    zvalue = atof(arg[5]);
+    zvalue = force->numeric(FLERR,arg[5]);
     zstyle = CONSTANT;
   }
 

src/USER-MISC/fix_imd.cpp

@@ -42,7 +42,7 @@ negotiate an appropriate license for such distribution."
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author:  Axel Kohlmeyer (TempleU)
+   Contributing author:  Axel Kohlmeyer (Temple U)
    IMD API, hash, and socket code written by: John E. Stone,
    Justin Gullingsrud, and James Phillips, (TCBG, Beckman Institute, UIUC)
 ------------------------------------------------------------------------- */
@@ -53,6 +53,7 @@ negotiate an appropriate license for such distribution."
 #include "update.h"
 #include "respa.h"
 #include "domain.h"
+#include "force.h"
 #include "error.h"
 #include "group.h"
 #include "memory.h"
@@ -62,7 +63,7 @@ negotiate an appropriate license for such distribution."
 #include <stdlib.h>
 #include <string.h>
 
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
 #include <winsock2.h>
 #else
 #include <arpa/inet.h>
@@ -447,7 +448,7 @@ FixIMD::FixIMD(LAMMPS *lmp, int narg, char **arg) :
   if (narg < 4)
     error->all(FLERR,"Illegal fix imd command");
 
-  imd_port = atoi(arg[3]);
+  imd_port = force->inumeric(FLERR,arg[3]);
   if (imd_port < 1024)
     error->all(FLERR,"Illegal fix imd parameter: port < 1024");
 
@@ -474,9 +475,9 @@ FixIMD::FixIMD(LAMMPS *lmp, int narg, char **arg) :
         nowait_flag = 0;
       }
     } else if (0 == strcmp(arg[argsdone], "fscale")) {
-      imd_fscale = atof(arg[argsdone+1]);
+      imd_fscale = force->numeric(FLERR,arg[argsdone+1]);
     } else if (0 == strcmp(arg[argsdone], "trate")) {
-      imd_trate = atoi(arg[argsdone+1]);
+      imd_trate = force->inumeric(FLERR,arg[argsdone+1]);
     } else {
       error->all(FLERR,"Unknown fix imd parameter");
     }
@@ -1179,7 +1180,7 @@ double FixIMD::memory_usage(void)
  ***************************************************************************/
 
 int imdsock_init(void) {
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
   int rc = 0;
   static int initialized=0;
 
@@ -1258,7 +1259,7 @@ void *imdsock_accept(void * v) {
 
 int  imdsock_write(void * v, const void *buf, int len) {
   imdsocket *s = (imdsocket *) v;
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
   return send(s->sd, (const char*) buf, len, 0);  /* windows lacks the write() call */
 #else
   return write(s->sd, buf, len);
@@ -1267,7 +1268,7 @@ int  imdsock_write(void * v, const void *buf, int len) {
 
 int  imdsock_read(void * v, void *buf, int len) {
   imdsocket *s = (imdsocket *) v;
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
   return recv(s->sd, (char*) buf, len, 0); /* windows lacks the read() call */
 #else
   return read(s->sd, buf, len);
@@ -1280,7 +1281,7 @@ void imdsock_shutdown(void *v) {
   if (s == NULL)
     return;
 
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
   shutdown(s->sd, SD_SEND);
 #else
   shutdown(s->sd, 1);  /* complete sends and send FIN */
@@ -1292,7 +1293,7 @@ void imdsock_destroy(void * v) {
   if (s == NULL)
     return;
 
-#if defined(_MSC_VER) || defined(__MINGW32_VERSION)
+#if defined(_MSC_VER) || defined(__MINGW32__)
   closesocket(s->sd);
 #else
   close(s->sd);

src/USER-MISC/fix_smd.cpp

@@ -26,6 +26,7 @@
 #include "respa.h"
 #include "domain.h"
 #include "error.h"
+#include "force.h"
 #include "group.h"
 
 using namespace LAMMPS_NS;
@@ -60,13 +61,13 @@ FixSMD::FixSMD(LAMMPS *lmp, int narg, char **arg) :
   if (strcmp(arg[argoffs],"cvel") == 0) {
     if (narg < argoffs+3) error->all(FLERR,"Illegal fix smd command");
     styleflag |= SMD_CVEL;
-    k_smd = atof(arg[argoffs+1]);
+    k_smd = force->numeric(FLERR,arg[argoffs+1]);
-    v_smd = atof(arg[argoffs+2]); // to be multiplied by update->dt when used.
+    v_smd = force->numeric(FLERR,arg[argoffs+2]); // to be multiplied by update->dt when used.
     argoffs += 3;
   } else if (strcmp(arg[argoffs],"cfor") == 0) {
     if (narg < argoffs+2) error->all(FLERR,"Illegal fix smd command");
     styleflag |= SMD_CFOR;
-    f_smd = atof(arg[argoffs+1]);
+    f_smd = force->numeric(FLERR,arg[argoffs+1]);
     argoffs += 2;
   } else error->all(FLERR,"Illegal fix smd command");
 
@@ -74,12 +75,12 @@ FixSMD::FixSMD(LAMMPS *lmp, int narg, char **arg) :
     if (narg < argoffs+5) error->all(FLERR,"Illegal fix smd command");
     styleflag |= SMD_TETHER;
     if (strcmp(arg[argoffs+1],"NULL") == 0) xflag = 0;
-    else xc = atof(arg[argoffs+1]);
+    else xc = force->numeric(FLERR,arg[argoffs+1]);
     if (strcmp(arg[argoffs+2],"NULL") == 0) yflag = 0;
-    else yc = atof(arg[argoffs+2]);
+    else yc = force->numeric(FLERR,arg[argoffs+2]);
     if (strcmp(arg[argoffs+3],"NULL") == 0) zflag = 0;
-    else zc = atof(arg[argoffs+3]);
+    else zc = force->numeric(FLERR,arg[argoffs+3]);
-    r0 = atof(arg[argoffs+4]);
+    r0 = force->numeric(FLERR,arg[argoffs+4]);
     if (r0 < 0) error->all(FLERR,"R0 < 0 for fix smd command");
     argoffs += 5;
   } else if (strcmp(arg[argoffs],"couple") == 0) {
@@ -94,15 +95,15 @@ FixSMD::FixSMD(LAMMPS *lmp, int narg, char **arg) :
 
     if (strcmp(arg[argoffs+2],"NULL") == 0) xflag = 0;
     else if (strcmp(arg[argoffs+2],"auto") == 0) styleflag |= SMD_AUTOX;
-    else xc = atof(arg[argoffs+2]);
+    else xc = force->numeric(FLERR,arg[argoffs+2]);
     if (strcmp(arg[argoffs+3],"NULL") == 0) yflag = 0;
     else if (strcmp(arg[argoffs+3],"auto") == 0) styleflag |= SMD_AUTOY;
-    else yc = atof(arg[argoffs+3]);
+    else yc = force->numeric(FLERR,arg[argoffs+3]);
     if (strcmp(arg[argoffs+4],"NULL") == 0) zflag = 0;
     else if (strcmp(arg[argoffs+4],"auto") == 0) styleflag |= SMD_AUTOZ;
-    else zc = atof(arg[argoffs+4]);
+    else zc = force->numeric(FLERR,arg[argoffs+4]);
 
-    r0 = atof(arg[argoffs+5]);
+    r0 = force->numeric(FLERR,arg[argoffs+5]);
     if (r0 < 0) error->all(FLERR,"R0 < 0 for fix smd command");
     argoffs +=6;
   } else error->all(FLERR,"Illegal fix smd command");

src/USER-OMP/fix_nphug_omp.cpp

@@ -442,17 +442,17 @@ int FixNPHugOMP::modify_param(int narg, char **arg)
 {
   if (strcmp(arg[0],"e0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    e0 = atof(arg[1]);
+    e0 = force->numeric(FLERR,arg[1]);
     e0_set = 1;
     return 2;
   } else if (strcmp(arg[0],"v0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    v0 = atof(arg[1]);
+    v0 = force->numeric(FLERR,arg[1]);
     v0_set = 1;
     return 2;
   } else if (strcmp(arg[0],"p0") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal fix nphug/omp command");
-    p0 = atof(arg[1]);
+    p0 = force->numeric(FLERR,arg[1]);
     p0_set = 1;
     return 2;
   }

src/USER-OMP/fix_omp.cpp

@@ -80,7 +80,7 @@ FixOMP::FixOMP(LAMMPS *lmp, int narg, char **arg)
 #pragma omp parallel default(none) shared(nthreads)
       nthreads = omp_get_num_threads();
     else
-      nthreads = atoi(arg[3]);
+      nthreads = force->inumeric(FLERR,arg[3]);
 #endif
   }
 

src/USER-OMP/msm_cg_omp.cpp

@@ -51,7 +51,7 @@ MSMCGOMP::MSMCGOMP(LAMMPS *lmp, int narg, char **arg) : MSMOMP(lmp, narg, arg)
 
   triclinic_support = 0;
 
-  if (narg == 2) smallq = atof(arg[1]);
+  if (narg == 2) smallq = fabs(force->numeric(FLERR,arg[1]));
   else smallq = SMALLQ;
 
   num_charged = -1;

src/USER-PHONON/fix_phonon.cpp

@@ -51,10 +51,10 @@ FixPhonon::FixPhonon(LAMMPS *lmp,  int narg, char **arg) : Fix(lmp, narg, arg)
   
   if (narg < 8) error->all(FLERR,"Illegal fix phonon command: number of arguments < 8");
 
-  nevery = atoi(arg[3]);   // Calculate this fix every n steps!
+  nevery = force->inumeric(FLERR,arg[3]);   // Calculate this fix every n steps!
   if (nevery < 1) error->all(FLERR,"Illegal fix phonon command");
 
-  nfreq  = atoi(arg[4]);   // frequency to output result
+  nfreq  = force->inumeric(FLERR,arg[4]);   // frequency to output result
   if (nfreq < 1) error->all(FLERR,"Illegal fix phonon command");
 
   waitsteps = ATOBIGINT(arg[5]); // Wait this many timesteps before actually measuring
@@ -78,11 +78,11 @@ FixPhonon::FixPhonon(LAMMPS *lmp,  int narg, char **arg) : Fix(lmp, narg, arg)
   while (iarg < narg){
     if (strcmp(arg[iarg],"sysdim") == 0){
       if (++iarg >= narg) error->all(FLERR,"Illegal fix phonon command: incomplete command line options.");
-      sdim = atoi(arg[iarg]);
+      sdim = force->inumeric(FLERR,arg[iarg]);
 
     } else if (strcmp(arg[iarg],"nasr") == 0){
       if (++iarg >= narg) error->all(FLERR,"Illegal fix phonon command: incomplete command line options.");
-      nasr = atoi(arg[iarg]);
+      nasr = force->inumeric(FLERR,arg[iarg]);
 
     } else {
       error->all(FLERR,"Illegal fix phonon command: unknown option read!");

src/USER-REAXC/fix_qeq_reax.cpp

@@ -58,10 +58,10 @@ FixQEqReax::FixQEqReax(LAMMPS *lmp, int narg, char **arg) :
 {
   if (narg != 8) error->all(FLERR,"Illegal fix qeq/reax command");
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
-  swa = atof(arg[4]);
+  swa = force->numeric(FLERR,arg[4]);
-  swb = atof(arg[5]);
+  swb = force->numeric(FLERR,arg[5]);
-  tolerance = atof(arg[6]);
+  tolerance = force->numeric(FLERR,arg[6]);
   pertype_parameters(arg[7]);
 
   shld = NULL;

src/USER-REAXC/fix_reaxc_bonds.cpp

@@ -53,7 +53,7 @@ FixReaxCBonds::FixReaxCBonds(LAMMPS *lmp, int narg, char **arg) :
   ntypes = atom->ntypes;
   nmax = atom->nmax;
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
 
   if (nevery <= 0 )
     error->all(FLERR,"Illegal fix reax/c/bonds command");
@@ -158,6 +158,7 @@ void FixReaxCBonds::Output_ReaxC_Bonds(bigint ntimestep, FILE *fp)
   // allocate a temporary buffer for the snapshot info
   MPI_Allreduce(&numbonds,&numbonds_max,1,MPI_INT,MPI_MAX,world);
   MPI_Allreduce(&nlocal,&nlocal_max,1,MPI_INT,MPI_MAX,world);
+
   nbuf = 1+(numbonds_max*2+10)*nlocal_max;
   memory->create(buf,nbuf,"reax/c/bonds:buf");
   for (i = 0; i < nbuf; i ++) buf[i] = 0.0;

src/USER-REAXC/fix_reaxc_species.cpp

@@ -58,9 +58,9 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
   MPI_Comm_size(world,&nprocs);
   ntypes = atom->ntypes;
 
-  nevery = atoi(arg[3]);
+  nevery = force->inumeric(FLERR,arg[3]);
-  nrepeat = atoi(arg[4]);
+  nrepeat = force->inumeric(FLERR,arg[4]);
-  global_freq = nfreq = atoi(arg[5]);
+  global_freq = nfreq = force->inumeric(FLERR,arg[5]);
 
   comm_forward = 1;
   
@@ -127,9 +127,9 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
     // set BO cutoff
     if (strcmp(arg[iarg],"cutoff") == 0) {
       if (iarg+4 > narg) error->all(FLERR,"Illegal fix reax/c/species command");
-      itype = atoi(arg[iarg+1]);
+      itype = force->inumeric(FLERR,arg[iarg+1]);
-      jtype = atoi(arg[iarg+2]);
+      jtype = force->inumeric(FLERR,arg[iarg+2]);
-      bo_cut = atof(arg[iarg+3]);
+      bo_cut = force->numeric(FLERR,arg[iarg+3]);
       if (itype > ntypes || jtype > ntypes) 
 	error->all(FLERR,"Illegal fix reax/c/species command");
       if (itype <= 0 || jtype <= 0) 
@@ -154,7 +154,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
     } else if (strcmp(arg[iarg],"position") == 0) {
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix species command");
       posflag = 1;
-      posfreq = atoi(arg[iarg+1]);
+      posfreq = force->inumeric(FLERR,arg[iarg+1]);
       filepos = new char[n];
       strcpy(filepos,arg[iarg+2]);
       if (strchr(filepos,'*')) {

src/USER-REAXC/pair_reax_c.cpp

@@ -228,14 +228,14 @@ void PairReaxC::settings(int narg, char **arg)
       iarg += 2;
     } else if (strcmp(arg[iarg],"safezone") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reax/c command");
-      system->safezone = atof(arg[iarg+1]);
+      system->safezone = force->numeric(FLERR,arg[iarg+1]);
       if (system->safezone < 0.0) 
 	error->all(FLERR,"Illegal pair_style reax/c safezone command");
       system->saferzone = system->safezone + 0.2;
       iarg += 2;
     } else if (strcmp(arg[iarg],"mincap") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal pair_style reax/c command");
-      system->mincap = atoi(arg[iarg+1]);
+      system->mincap = force->inumeric(FLERR,arg[iarg+1]);
       if (system->mincap < 0) 
 	error->all(FLERR,"Illegal pair_style reax/c mincap command");
       iarg += 2;

src/XTC/dump_xtc.cpp

@@ -34,6 +34,7 @@
 #include "group.h"
 #include "output.h"
 #include "error.h"
+#include "force.h"
 #include "memory.h"
 
 using namespace LAMMPS_NS;
@@ -272,7 +273,7 @@ int DumpXTC::modify_param(int narg, char **arg)
     return 2;
   } else if (strcmp(arg[0],"precision") == 0) {
     if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
-    precision = atof(arg[1]);
+    precision = force->numeric(FLERR,arg[1]);
     if ((fabs(precision-10.0) > EPS) && (fabs(precision-100.0) > EPS) &&
         (fabs(precision-1000.0) > EPS) && (fabs(precision-10000.0) > EPS) &&
         (fabs(precision-100000.0) > EPS) &&