Fixed initialization of arrays in computes

src/compute.cpp

@@ -41,7 +41,7 @@ int Compute::instance_total = 0;
 Compute::Compute(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp),
   id(NULL), style(NULL),
   vector(NULL), array(NULL), vector_atom(NULL), array_atom(NULL), vector_local(NULL), array_local(NULL),
-  tlist(NULL)
+  tlist(NULL), vbiasall(NULL)
 {
   instance_me = instance_total++;
   

src/compute_stress_atom.cpp

@@ -36,7 +36,8 @@ enum{NOBIAS,BIAS};
 /* ---------------------------------------------------------------------- */
 
 ComputeStressAtom::ComputeStressAtom(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  id_temp(NULL), stress(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal compute stress/atom command");
 
@@ -98,7 +99,6 @@ ComputeStressAtom::ComputeStressAtom(LAMMPS *lmp, int narg, char **arg) :
   }
 
   nmax = 0;
-  stress = NULL;
 }
 
 /* ---------------------------------------------------------------------- */

src/compute_temp_chunk.cpp

@@ -29,7 +29,9 @@ enum{TEMP,KECOM,INTERNAL};
 /* ---------------------------------------------------------------------- */
 
 ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  which(NULL), idchunk(NULL), id_bias(NULL), sum(NULL), sumall(NULL), count(NULL), 
+  countall(NULL), massproc(NULL), masstotal(NULL), vcm(NULL), vcmall(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal compute temp/chunk command");
 
@@ -129,12 +131,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
 
   nchunk = 1;
   maxchunk = 0;
-  sum = sumall = NULL;
+  
-  count = countall = NULL;
-  massproc = masstotal = NULL;
-  vcm = vcmall = NULL;
-  array = NULL;
-
   if (nvalues)  {
     array_flag = 1;
     size_array_cols = nvalues;

src/compute_temp_profile.cpp

@@ -31,7 +31,8 @@ enum{TENSOR,BIN};
 /* ---------------------------------------------------------------------- */
 
 ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  bin(NULL), vbin(NULL), binave(NULL), tbin(NULL), tbinall(NULL)
 {
   if (narg < 7) error->all(FLERR,"Illegal compute temp/profile command");
 
@@ -138,7 +139,6 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
   }
 
   maxatom = 0;
-  bin = NULL;
 }
 
 /* ---------------------------------------------------------------------- */

src/compute_temp_region.cpp

@@ -28,7 +28,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  idregion(NULL)
 {
   if (narg != 4) error->all(FLERR,"Illegal compute temp/region command");
 

src/compute_temp_sphere.cpp

@@ -33,7 +33,8 @@ enum{ROTATE,ALL};
 /* ---------------------------------------------------------------------- */
 
 ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  id_bias(NULL)
 {
   if (narg < 3) error->all(FLERR,"Illegal compute temp/sphere command");
 
@@ -44,7 +45,6 @@ ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) :
   tempflag = 1;
 
   tempbias = 0;
-  id_bias = NULL;
   mode = ALL;
 
   int iarg = 3;

src/compute_torque_chunk.cpp

@@ -26,7 +26,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 ComputeTorqueChunk::ComputeTorqueChunk(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  idchunk(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL), torque(NULL), torqueall(NULL)
 {
   if (narg != 4) error->all(FLERR,"Illegal compute torque/chunk command");
 
@@ -48,9 +49,6 @@ ComputeTorqueChunk::ComputeTorqueChunk(LAMMPS *lmp, int narg, char **arg) :
 
   nchunk = 1;
   maxchunk = 0;
-  massproc = masstotal = NULL;
-  com = comall = NULL;
-  torque = torqueall = NULL;
   allocate();
 }
 

src/compute_vacf.cpp

@@ -25,7 +25,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 ComputeVACF::ComputeVACF(LAMMPS *lmp, int narg, char **arg) :
-  Compute(lmp, narg, arg)
+  Compute(lmp, narg, arg),
+  id_fix(NULL)
 {
   if (narg < 3) error->all(FLERR,"Illegal compute vacf command");
 

src/compute_vcm_chunk.cpp

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