Merge pull request #1091 from akohlmey/less-compiler-warnings

Collected diverse small changes

examples/USER/diffraction/BulkNi.in

@@ -17,8 +17,9 @@ atom_modify     sort 0 0
 
 compute         XRD all xrd  1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo
 
-compute         SAED all saed 0.0251  Ni Kmax 0.85 Zone 1 0 0 c 0.025 0.025 0.025  &
-                dR_Ewald 0.05 echo manual
+compute         SAED all saed 0.0251  Ni Kmax 0.85 &
+                Zone 0 0 0 c 0.025 0.025 0.025 &
+                dR_Ewald 0.01 echo manual
 
 fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2] &
                 mode vector file $A.hist.xrd

examples/USER/diffraction/Output/BulkNi.in

@@ -1,35 +0,0 @@
-variable  A string bulkNi
-log		$A.log
-
-boundary        p p p
-
-units		metal
-timestep	0.001
-
-lattice         fcc 3.52
-region          box block 0 20 0 20 0 20
-create_box      1 box
-create_atoms    1 box
-
-pair_style      none
-mass            * 58.71
-atom_modify     sort 0 0
-
-compute         XRD all xrd  1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo
-
-compute         SAED all saed 0.0251  Ni Kmax 0.85 &
-                Zone 0 0 0 c 0.025 0.025 0.025 &
-                dR_Ewald 0.01 echo manual
-
-fix             1 all ave/histo/weight 1 1 1 40 80 200 c_XRD[1] c_XRD[2] &
-                mode vector file $A.hist.xrd
-
-fix             2 all saed/vtk 1 1 1 c_SAED file $A_001.saed 
-
-dump            1 all custom 1 $A.dump id x y z 
-run             0
-
-unfix           1
-unfix           2
-uncompute       XRD
-uncompute       SAED

src/domain.cpp

@@ -1176,12 +1176,12 @@ int Domain::closest_image(int i, int j)
    if J is not a valid index like -1, just return it
 ------------------------------------------------------------------------- */
 
-int Domain::closest_image(double *pos, int j)
+int Domain::closest_image(const double * const pos, int j)
 {
   if (j < 0) return j;
 
-  int *sametag = atom->sametag;
-  double **x = atom->x;
+  const int * const sametag = atom->sametag;
+  const double * const * const x = atom->x;
 
   int closest = j;
   double delx = pos[0] - x[j][0];
@@ -1208,10 +1208,10 @@ int Domain::closest_image(double *pos, int j)
 /* ----------------------------------------------------------------------
    find and return Xj image = periodic image of Xj that is closest to Xi
    for triclinic, add/subtract tilt factors in other dims as needed
-   called by ServerMD class
+   called by ServerMD class and LammpsInterface in lib/atc.
 ------------------------------------------------------------------------- */
 
-void Domain::closest_image(double *xi, double *xj, double *xjimage)
+void Domain::closest_image(const double * const xi, const double * const xj, double * const xjimage)
 {
   double dx = xj[0] - xi[0];
   double dy = xj[1] - xi[1];

src/domain.h

@@ -115,8 +115,8 @@ class Domain : protected Pointers {
   void minimum_image(double *);
   void minimum_image_once(double *);
   int closest_image(int, int);
-  int closest_image(double *, int);
-  void closest_image(double *, double *, double *);
+  int closest_image(const double * const, int);
+  void closest_image(const double * const, const double * const, double * const);
   void remap(double *, imageint &);
   void remap(double *);
   void remap_near(double *, double *);

src/fix_tmd.cpp

@@ -412,7 +412,7 @@ void FixTMD::readfile(char *file)
       m++;
     }
 
-    MPI_Bcast(&eof,sizeof(char *)/sizeof(char),MPI_CHAR,0,world);
+    MPI_Bcast(&eof,sizeof(char *),MPI_CHAR,0,world);
     MPI_Bcast(&nlines,1,MPI_INT,0,world);
     MPI_Bcast(&m,1,MPI_INT,0,world);
     MPI_Bcast(buffer,m,MPI_CHAR,0,world);

src/library.cpp

@@ -1515,7 +1515,8 @@ void lammps_create_atoms(void *ptr, int n, tagint *id, int *type,
     if (lmp->atom->natoms != natoms_prev + n) {
       char str[128];
       sprintf(str,"Library warning in lammps_create_atoms, "
-              "invalid total atoms " BIGINT_FORMAT " %lld",lmp->atom->natoms,natoms_prev+n);
+              "invalid total atoms " BIGINT_FORMAT " " BIGINT_FORMAT,
+              lmp->atom->natoms,natoms_prev+n);
       if (lmp->comm->me == 0)
         lmp->error->warning(FLERR,str);
     }