git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5107 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/modify.cpp

@@ -50,6 +50,7 @@ using namespace LAMMPS_NS;
 #define MIN_PRE_FORCE           32768
 #define MIN_POST_FORCE          65536
 #define MIN_ENERGY             131072
+#define POST_RUN               262144
 
 #define MIN(A,B) ((A) < (B)) ? (A) : (B)
 #define MAX(A,B) ((A) > (B)) ? (A) : (B)
@@ -80,7 +81,7 @@ Modify::Modify(LAMMPS *lmp) : Pointers(lmp)
   list_pre_force_respa = list_post_force_respa = NULL;
   list_final_integrate_respa = NULL;
   list_min_pre_exchange = list_min_pre_force = 
-    list_min_post_force = list_min_energy = NULL;
+  list_min_post_force = list_min_energy = NULL;
 
   end_of_step_every = NULL;
 
@@ -362,6 +363,15 @@ double Modify::thermo_energy()
   return energy;
 }
 
+/* ----------------------------------------------------------------------
+   post_run call
+------------------------------------------------------------------------- */
+
+void Modify::post_run()
+{
+  for (int i = 0; i < nfix; i++) fix[i]->post_run();
+}
+
 /* ----------------------------------------------------------------------
    setup rRESPA pre_force call, only for relevant fixes
 ------------------------------------------------------------------------- */

src/modify.h

@@ -54,6 +54,7 @@ class Modify : protected Pointers {
   void final_integrate();
   void end_of_step();
   double thermo_energy();
+  void post_run();
 
   void setup_pre_force_respa(int, int);
   void initial_integrate_respa(int, int, int);

src/pair.h

@@ -97,14 +97,12 @@ class Pair : protected Pointers {
 
   // specific child-class methods for certain Pair styles
   
-  virtual void *extract(char *) {return NULL;}
+  virtual void *extract(char *, int &) {return NULL;}
   virtual void swap_eam(double *, double **) {}
   virtual void reset_dt() {}
   virtual void min_xf_pointers(int, double **, double **) {}
   virtual void min_xf_get(int) {}
   virtual void min_x_set(int) {}
-  virtual int pre_adapt(char *, int, int, int, int) {return -1;}
-  virtual void adapt(int, int, int, int, int, double) {}
 
  protected:
   int allocated;                       // 0/1 = whether arrays are allocated