remove trailing whitespace

src/atom_vec.cpp

@@ -118,7 +118,7 @@ int AtomVec::grow_nmax_bonus(int nmax_bonus)
 bigint AtomVec::roundup(bigint n)
 {
   if (n % DELTA) n = n/DELTA * DELTA + DELTA;
-  if (n > MAXSMALLINT) 
+  if (n > MAXSMALLINT)
     error->one(FLERR,"Too many atoms created on one or more procs");
   return n;
 }

src/create_atoms.cpp

@@ -205,7 +205,7 @@ void CreateAtoms::command(int narg, char **arg)
       subsetflag = RATIO;
       subsetfrac = force->numeric(FLERR,arg[iarg+1]);
       subsetseed = force->inumeric(FLERR,arg[iarg+2]);
-      if (subsetfrac <= 0.0 || subsetfrac > 1.0 || subsetseed <= 0) 
+      if (subsetfrac <= 0.0 || subsetfrac > 1.0 || subsetseed <= 0)
         error->all(FLERR,"Illegal create_atoms command");
       iarg += 3;
     } else if (strcmp(arg[iarg],"subset") == 0) {
@@ -213,7 +213,7 @@ void CreateAtoms::command(int narg, char **arg)
       subsetflag = SUBSET;
       nsubset = force->bnumeric(FLERR,arg[iarg+1]);
       subsetseed = force->inumeric(FLERR,arg[iarg+2]);
-      if (nsubset <= 0 || subsetseed <= 0) 
+      if (nsubset <= 0 || subsetseed <= 0)
         error->all(FLERR,"Illegal create_atoms command");
       iarg += 3;
     } else error->all(FLERR,"Illegal create_atoms command");
@@ -805,7 +805,7 @@ void CreateAtoms::add_lattice()
   // rough estimate of total time used for create atoms
   // one inner loop takes about 25ns on a typical desktop CPU core in 2019
   // maxestimate = time in hours
-  
+
   double estimate = 2.5e-8/3600.0;
   estimate *= static_cast<double> (khi-klo+1);
   estimate *= static_cast<double> (jhi-jlo+1);
@@ -831,7 +831,7 @@ void CreateAtoms::add_lattice()
 
   int overflow;
   MPI_Allreduce(&nlatt_overflow,&overflow,1,MPI_INT,MPI_SUM,world);
-  if (overflow) 
+  if (overflow)
     error->all(FLERR,"Create_atoms lattice size overflow on 1 or more procs");
 
   bigint nadd;
@@ -850,7 +850,7 @@ void CreateAtoms::add_lattice()
     if (nprocs == 1) nadd = nsubset;
     else nadd = static_cast<bigint> (LB_FACTOR * nsubset/bnlattall * nlatt);
   }
-  
+
   // allocate atom arrays to size N, rounded up by AtomVec->DELTA
 
   bigint nbig = atom->avec->roundup(nadd + atom->nlocal);
@@ -895,13 +895,13 @@ void CreateAtoms::loop_lattice(int action)
         for (m = 0; m < nbasis; m++) {
           double *coord;
           double x[3],lamda[3];
-          
+
           x[0] = i + basis[m][0];
           x[1] = j + basis[m][1];
           x[2] = k + basis[m][2];
 
           // convert from lattice coords to box coords
-          
+
           domain->lattice->lattice2box(x[0],x[1],x[2]);
 
           // if a region was specified, test if atom is in it
@@ -910,20 +910,20 @@ void CreateAtoms::loop_lattice(int action)
             if (!domain->regions[nregion]->match(x[0],x[1],x[2])) continue;
 
           // if variable test specified, eval variable
-          
+
           if (varflag && vartest(x) == 0) continue;
-          
+
           // test if atom/molecule position is in my subbox
-          
+
           if (triclinic) {
             domain->x2lamda(x,lamda);
             coord = lamda;
           } else coord = x;
-          
+
           if (coord[0] < sublo[0] || coord[0] >= subhi[0] ||
               coord[1] < sublo[1] || coord[1] >= subhi[1] ||
               coord[2] < sublo[2] || coord[2] >= subhi[2]) continue;
-          
+
           // this proc owns the lattice site
           // perform action: add, just count, add if flagged
           // add = add an atom or entire molecule to my list of atoms

src/create_atoms.h

@@ -45,7 +45,7 @@ class CreateAtoms : protected Pointers {
 
   int ilo,ihi,jlo,jhi,klo,khi;
 
-  int nlatt;                  // number of owned lattice sites 
+  int nlatt;                  // number of owned lattice sites
   int nlatt_overflow;         // 1 if local nlatt exceeds a 32-bit int
 
   int *flag;                  // flag subset of particles to insert on lattice

src/random_mars.cpp

@@ -223,18 +223,18 @@ void RanMars::select_subset(bigint ntarget, int nmine, int *mark, int *next)
     }
 
     // bound thresh for RNG accuracy
-  
+
     thresh = MAX(thresh,0.01);
     thresh = MIN(thresh,0.99);
 
     // new empty active sets for next iteration
-  
+
     newactive[0] = newactive[1] = 0;
     newfirst[0] = newfirst[1] = -1;
     newlast[0] = newlast[1] = -1;
 
     // index = first value in ADD or SUBTRACT set
-  
+
     if (mode == ADD) newvalue = 1;
     else if (mode == SUBTRACT) newvalue = 0;
     index = first[mode];
@@ -242,7 +242,7 @@ void RanMars::select_subset(bigint ntarget, int nmine, int *mark, int *next)
     // flip marks from 0 -> 1 (ADD) or 1 -> 0 (SUBTRACT)
     // loop over active set via next vector = linked list
     // flip each value based on RN < thresh
-  
+
     nflip = 0;
     while (index >= 0) {
       if (uniform() < thresh) {
@@ -254,7 +254,7 @@ void RanMars::select_subset(bigint ntarget, int nmine, int *mark, int *next)
 
       // oldindex can now be appended to a new active set
       // which = which of two new active sets to append to
-    
+
       which = mark[oldindex];
       newactive[which]++;
       if (newfirst[which] < 0) newfirst[which] = oldindex;
@@ -264,13 +264,13 @@ void RanMars::select_subset(bigint ntarget, int nmine, int *mark, int *next)
 
       // set active sets for next iteration to the new ones
       // next vector is already updated
-  
+
       active[0] = newactive[0];
-      active[1] = newactive[1];  
+      active[1] = newactive[1];
       first[0] = newfirst[0];
-      first[1] = newfirst[1];  
+      first[1] = newfirst[1];
       last[0] = newlast[0];
-      last[1] = newlast[1];  
+      last[1] = newlast[1];
     }
 
     // update nmark and activeall
@@ -289,7 +289,7 @@ void RanMars::select_subset(bigint ntarget, int nmine, int *mark, int *next)
     else if (mode == SUBTRACT) nmark -= nflipall;
 
     niter++;
-    
+
     // DEBUG output of stats
 
     //if (comm->me == 0) printf("%d %ld %ld %g %ld\n",

src/read_data.cpp

@@ -442,7 +442,7 @@ void ReadData::command(int narg, char **arg)
       atom->deallocate_topology();
 
       // allocate atom arrays to N, rounded up by increment of DELTA
-      
+
       bigint nbig = n;
       nbig = atom->avec->roundup(nbig);
       n = static_cast<int> (nbig);

src/read_restart.cpp

@@ -167,7 +167,7 @@ void ReadRestart::command(int narg, char **arg)
   atom->deallocate_topology();
 
   // allocate atom arrays to size N, rounded up by AtomVec->DELTA
-      
+
   bigint nbig = n;
   nbig = atom->avec->roundup(nbig);
   n = static_cast<int> (nbig);
@@ -220,7 +220,7 @@ void ReadRestart::command(int narg, char **arg)
 
     // can calculate number of atoms from assignedChunkSize
 
-    if (!nextra) { 
+    if (!nextra) {
       atom->nlocal = 1; // temporarily claim there is one atom...
       int perAtomSize = avec->size_restart(); // ...so we can get its size
       atom->nlocal = 0; // restore nlocal to zero atoms

src/replicate.cpp

@@ -225,7 +225,7 @@ void Replicate::command(int narg, char **arg)
   atom->allocate_type_arrays();
 
   // allocate atom arrays to size N, rounded up by AtomVec->DELTA
-      
+
   bigint nbig = n;
   nbig = atom->avec->roundup(nbig);
   n = static_cast<int> (nbig);