git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5060 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute_pair.cpp

@@ -29,7 +29,11 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
   if (narg != 4) error->all("Illegal compute pair command");
   if (igroup) error->all("Compute pair must use group all");
 
-  pair = force->pair_match(arg[3],1);
+  int n = strlen(arg[3]) + 1;
+  pstyle = new char[n];
+  strcpy(pstyle,arg[3]);
+
+  pair = force->pair_match(pstyle,1);
   if (!pair) error->all("Unrecognized pair style in compute pair command");
   npair = pair->nextra;
   if (!npair) 
@@ -51,12 +55,23 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
 
 ComputePair::~ComputePair()
 {
+  delete [] pstyle;
   delete [] one;
   delete [] vector;
 }
 
 /* ---------------------------------------------------------------------- */
 
+void ComputePair::init()
+{
+  // recheck for pair style in case it has been deleted
+
+  pair = force->pair_match(pstyle,1);
+  if (!pair) error->all("Unrecognized pair style in compute pair command");
+}
+
+/* ---------------------------------------------------------------------- */
+
 void ComputePair::compute_vector()
 {
   invoked_vector = update->ntimestep;

src/compute_pair.h

@@ -28,11 +28,12 @@ class ComputePair : public Compute {
  public:
   ComputePair(class LAMMPS *, int, char **);
   ~ComputePair();
-  void init() {}
+  void init();
   void compute_vector();
 
  private:
   int npair;
+  char *pstyle;
   class Pair *pair;
   double *one;
 };