Fixed initialization of arrays in computes

src/compute_cna_atom.cpp

@@ -42,7 +42,8 @@ enum{NCOMMON,NBOND,MAXBOND,MINBOND};
 /* ---------------------------------------------------------------------- */
 
 ComputeCNAAtom::ComputeCNAAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  nearest(NULL), nnearest(NULL), pattern(NULL)
 {
   if (narg != 4) error->all(FLERR,"Illegal compute cna/atom command");
 
@@ -54,9 +55,6 @@ ComputeCNAAtom::ComputeCNAAtom(LAMMPS *lmp, int narg, char **arg) :
   cutsq = cutoff*cutoff;
 
   nmax = 0;
-  nearest = NULL;
-  nnearest = NULL;
-  pattern = NULL;
 }
 
 /* ---------------------------------------------------------------------- */

src/compute_com_chunk.cpp

@@ -28,7 +28,8 @@ enum{ONCE,NFREQ,EVERY};
 /* ---------------------------------------------------------------------- */
 
 ComputeCOMChunk::ComputeCOMChunk(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  idchunk(NULL), masstotal(NULL), massproc(NULL), com(NULL), comall(NULL)
 {
   if (narg != 4) error->all(FLERR,"Illegal compute com/chunk command");
 
@@ -50,8 +51,6 @@ ComputeCOMChunk::ComputeCOMChunk(LAMMPS *lmp, int narg, char **arg) :
 
   nchunk = 1;
   maxchunk = 0;
-  massproc = masstotal = NULL;
-  com = comall = NULL;
   allocate();
 
   firstflag = massneed = 1;

src/compute_contact_atom.cpp

@@ -32,7 +32,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 ComputeContactAtom::ComputeContactAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  contact(NULL)
 {
   if (narg != 3) error->all(FLERR,"Illegal compute contact/atom command");
 
@@ -41,7 +42,6 @@ ComputeContactAtom::ComputeContactAtom(LAMMPS *lmp, int narg, char **arg) :
   comm_reverse = 1;
 
   nmax = 0;
-  contact = NULL;
 
   // error checks
 

src/compute_coord_atom.cpp

@@ -32,7 +32,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  typelo(NULL), typehi(NULL), cvec(NULL), carray(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal compute coord/atom command");
 
@@ -65,8 +66,6 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
   else size_peratom_cols = ncol;
 
   nmax = 0;
-  cvec = NULL;
-  carray = NULL;
 }
 
 /* ---------------------------------------------------------------------- */