git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4375 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/fix.h

@@ -91,6 +91,7 @@ class Fix : protected Pointers {
   virtual void init() {}
   virtual void init_list(int, class NeighList *) {}
   virtual void setup(int) {}
+  virtual void setup_pre_force(int) {}
   virtual void min_setup(int) {}
   virtual void initial_integrate(int) {}
   virtual void post_integrate() {}

src/fix_adapt.cpp

@@ -169,12 +169,13 @@ void FixAdapt::init()
     if (!input->variable->equalstyle(ivar[m]))
       error->all("Variable for fix adapt is not equal style");
   }
+}
 
-  // set params to values for initial force calculation
+/* ---------------------------------------------------------------------- */
-  // needs to happen here in init() instead of setup()
-  // because modify->setup() is called after pre-Verlet forces are computed
 
-  pre_force(0);
+void FixAdapt::setup_pre_force(int vflag)
+{
+  pre_force(vflag);
 }
 
 /* ---------------------------------------------------------------------- */

src/fix_adapt.h

@@ -30,6 +30,7 @@ class FixAdapt : public Fix {
   ~FixAdapt();
   int setmask();
   void init();
+  void setup_pre_force(int);
   void pre_force(int);
 
  private:

src/modify.cpp

@@ -248,6 +248,16 @@ void Modify::setup(int vflag)
     for (int i = 0; i < nfix; i++) fix[i]->min_setup(vflag);
 }
 
+/* ----------------------------------------------------------------------
+   setup pre_force call, only for relevant fixes
+------------------------------------------------------------------------- */
+
+void Modify::setup_pre_force(int vflag)
+{
+  for (int i = 0; i < n_pre_force; i++)
+    fix[list_pre_force[i]]->setup_pre_force(vflag);
+}
+
 /* ----------------------------------------------------------------------
    1st half of integrate call, only for relevant fixes
 ------------------------------------------------------------------------- */

src/modify.h

@@ -42,6 +42,7 @@ class Modify : protected Pointers {
   ~Modify();
   void init();
   void setup(int);
+  void setup_pre_force(int);
   void initial_integrate(int);
   void post_integrate();
   void pre_decide();

src/verlet.cpp

@@ -102,6 +102,7 @@ void Verlet::setup()
 
   ev_set(update->ntimestep);
   force_clear();
+  modify->setup_pre_force(vflag);
 
   if (force->pair) force->pair->compute(eflag,vflag);
 
@@ -152,6 +153,7 @@ void Verlet::setup_minimal(int flag)
 
   ev_set(update->ntimestep);
   force_clear();
+  modify->setup_pre_force(vflag);
 
   if (force->pair) force->pair->compute(eflag,vflag);