rearrange pointer variables to a more logical location, quell compiler warning and initialize all pointer

src/molecule.cpp

@@ -45,8 +45,8 @@ Molecule::Molecule(LAMMPS *lmp, int narg, char **arg, int &index) :
   improper_type(NULL), improper_atom1(NULL), improper_atom2(NULL),
   improper_atom3(NULL), improper_atom4(NULL), nspecial(NULL), special(NULL),
   shake_flag(NULL), shake_atom(NULL), shake_type(NULL), avec_body(NULL), ibodyparams(NULL),
-  dbodyparams(NULL), dx(NULL), dxcom(NULL), dxbody(NULL), quat_external(NULL),
+  dbodyparams(NULL), fragmentmask(NULL), fragmentnames(NULL),
-  fp(NULL), count(NULL), fragmentmask(NULL)
+  dx(NULL), dxcom(NULL), dxbody(NULL), quat_external(NULL), fp(NULL), count(NULL)
 {
   me = comm->me;
 

src/molecule.h

@@ -34,10 +34,6 @@ class Molecule : protected Pointers {
   int nbondtypes,nangletypes,ndihedraltypes,nimpropertypes;
   int nibody,ndbody;
 
-  // fragment info
-  char **fragmentnames;
-  int **fragmentmask; // nfragments by natoms
-
   // max bond,angle,etc per atom
 
   int bond_per_atom,angle_per_atom,dihedral_per_atom,improper_per_atom;
@@ -95,6 +91,11 @@ class Molecule : protected Pointers {
   int *ibodyparams;         // integer and double body params
   double *dbodyparams;
 
+  // fragment info
+
+  int **fragmentmask;       // nfragments by natoms
+  char **fragmentnames;
+
   double center[3];         // geometric center of molecule
   double masstotal;         // total mass of molecule
   double com[3];            // center of mass of molecule