git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/RIGID/fix_rigid.cpp

@@ -2161,7 +2161,7 @@ void FixRigid::readfile(int which, double *vec, double **array, int *inbody)
     // id = rigid body ID
     // use ID as-is for SINGLE, as mol-ID for MOLECULE, as-is for GROUP
     // for which = 0, store mass/com in vec/array
-    // for which = 1, store interia tensor array, invert 3,4,5 values to Voigt
+    // for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt
 
     for (int i = 0; i < nchunk; i++) {
       next = strchr(buf,'\n');

src/RIGID/fix_rigid_small.cpp

@@ -2364,7 +2364,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
     // tokenize the line into values
     // id = rigid body ID = mol-ID
     // for which = 0, store mass/com in vec/array
-    // for which = 1, store interia tensor array, invert 3,4,5 values to Voigt
+    // for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt
 
     for (int i = 0; i < nchunk; i++) {
       next = strchr(buf,'\n');

src/USER-CUDA/Install.sh

@@ -185,7 +185,11 @@ include ..\/..\/lib\/cuda\/Makefile.lammps
   fi
 
 elif (test $1 = 0) then
-
+  # need to delete a bunch of depenency files because they indirectly depend on user_cuda.h
+  for f in input.d output.d pair.d fix_omp.d
+  do \
+    rm -f ../Obj_*/$f
+  done
   if (test -e ../Makefile.package) then
     sed -i -e 's/[^ \t]*cuda[^ \t]* //g' ../Makefile.package
     sed -i -e 's/[^ \t]*CUDA[^ \t]* //g' ../Makefile.package

src/USER-OMP/Install.sh

@@ -51,6 +51,11 @@ if (test $mode = 1) then
     sed -i -e 's|^PKG_INC =[ \t]*|&-DLMP_USER_OMP |' ../Makefile.package
   fi
 
+  # need to delete a bunch of depenency files because they indirectly depend on user_cuda.h
+  for f in finish.d modify_cuda.d
+  do \
+    rm -f ../Obj_*/$f
+  done
   # force rebuild of files with LMP_USER_OMP switch
 
   touch ../accelerator_omp.h

src/USER-PHONON/fix_phonon.cpp

@@ -73,7 +73,7 @@ FixPhonon::FixPhonon(LAMMPS *lmp,  int narg, char **arg) : Fix(lmp, narg, arg)
   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
+  waitsteps = force->bnumeric(FLERR,arg[5]); // Wait this many timesteps before actually measuring
   if (waitsteps < 0) error->all(FLERR,"Illegal fix phonon command: waitsteps < 0 !");
 
   int n = strlen(arg[6]) + 1; // map file

src/read_dump.cpp

@@ -33,6 +33,7 @@
 #include "fix.h"
 #include "domain.h"
 #include "comm.h"
+#include "force.h"
 #include "irregular.h"
 #include "error.h"
 #include "memory.h"
@@ -98,7 +99,7 @@ void ReadDump::command(int narg, char **arg)
   if (narg < 2) error->all(FLERR,"Illegal read_dump command");
 
   store_files(1,&arg[0]);
-  bigint nstep = ATOBIGINT(arg[1]);
+  bigint nstep = force->bnumeric(FLERR,arg[1]);
 
   int nremain = narg - 2;
   if (nremain) nremain = fields_and_keywords(nremain,&arg[narg-nremain]);

src/reader_xyz.cpp

@@ -21,6 +21,7 @@
 #include "atom.h"
 #include "memory.h"
 #include "error.h"
+#include "force.h"
 
 using namespace LAMMPS_NS;
 
@@ -58,7 +59,7 @@ int ReaderXYZ::read_time(bigint &ntimestep)
 
   // first line has to have the number of atoms
 
-  natoms = ATOBIGINT(line);
+  natoms = force->bnumeric(FLERR,line);
   if (natoms < 1)
     error->one(FLERR,"Dump file is incorrectly formatted");
 

src/rerun.cpp

@@ -70,12 +70,12 @@ void Rerun::command(int narg, char **arg)
   while (iarg < narg) {
     if (strcmp(arg[iarg],"first") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command");
-      first = ATOBIGINT(arg[iarg+1]);
+      first = force->bnumeric(FLERR,arg[iarg+1]);
       if (first < 0) error->all(FLERR,"Illegal rerun command");
       iarg += 2;
     } else if (strcmp(arg[iarg],"last") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command");
-      last = ATOBIGINT(arg[iarg+1]);
+      last = force->bnumeric(FLERR,arg[iarg+1]);
       if (last < 0) error->all(FLERR,"Illegal rerun command");
       iarg += 2;
     } else if (strcmp(arg[iarg],"every") == 0) {
@@ -91,13 +91,13 @@ void Rerun::command(int narg, char **arg)
     } else if (strcmp(arg[iarg],"start") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command");
       startflag = 1;
-      start = ATOBIGINT(arg[iarg+1]);
+      start = force->bnumeric(FLERR,arg[iarg+1]);
       if (start < 0) error->all(FLERR,"Illegal rerun command");
       iarg += 2;
     } else if (strcmp(arg[iarg],"stop") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command");
       stopflag = 1;
-      stop = ATOBIGINT(arg[iarg+1]);
+      stop = force->bnumeric(FLERR,arg[iarg+1]);
       if (stop < 0) error->all(FLERR,"Illegal rerun command");
       iarg += 2;
     } else if (strcmp(arg[iarg],"dump") == 0) {

src/run.cpp

@@ -42,7 +42,7 @@ void Run::command(int narg, char **arg)
   if (domain->box_exist == 0)
     error->all(FLERR,"Run command before simulation box is defined");
 
-  bigint nsteps_input = ATOBIGINT(arg[0]);
+  bigint nsteps_input = force->bnumeric(FLERR,arg[0]);
 
   // parse optional args
 
@@ -65,12 +65,12 @@ void Run::command(int narg, char **arg)
     } else if (strcmp(arg[iarg],"start") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
       startflag = 1;
-      start = ATOBIGINT(arg[iarg+1]);
+      start = force->bnumeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"stop") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
       stopflag = 1;
-      stop = ATOBIGINT(arg[iarg+1]);
+      stop = force->bnumeric(FLERR,arg[iarg+1]);
       iarg += 2;
     } else if (strcmp(arg[iarg],"pre") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal run command");

src/update.cpp

@@ -408,7 +408,7 @@ void Update::create_minimize(int narg, char **arg)
 void Update::reset_timestep(int narg, char **arg)
 {
   if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
-  bigint newstep = ATOBIGINT(arg[0]);
+  bigint newstep = force->bnumeric(FLERR,arg[0]);
   reset_timestep(newstep);
 }
 

src/variable.cpp

@@ -4392,7 +4392,7 @@ int VarReader::read_peratom()
   if (n == 0) return 1;
 
   MPI_Bcast(str,n,MPI_CHAR,0,world);
-  bigint nlines = ATOBIGINT(str);
+  bigint nlines = force->bnumeric(FLERR,str);
   tagint map_tag_max = atom->map_tag_max;
 
   bigint nread = 0;