git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4515 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/respa.cpp

@@ -312,6 +312,8 @@ void Respa::setup()
 {
   if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n");
 
+  update->setupflag = 1;
+
   // setup domain, communication and neighboring
   // acquire ghosts
   // build neighbor lists
@@ -362,6 +364,7 @@ void Respa::setup()
   modify->setup(vflag);
   sum_flevel_f();
   output->setup(1);
+  update->setupflag = 0;
 }
 
 /* ----------------------------------------------------------------------
@@ -372,6 +375,8 @@ void Respa::setup()
 
 void Respa::setup_minimal(int flag)
 {
+  update->setupflag = 1;
+
   // setup domain, communication and neighboring
   // acquire ghosts
   // build neighbor lists
@@ -421,6 +426,7 @@ void Respa::setup_minimal(int flag)
   
   modify->setup(vflag);
   sum_flevel_f();
+  update->setupflag = 0;
 }
 
 /* ----------------------------------------------------------------------

src/update.cpp

@@ -42,6 +42,7 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
   whichflag = 0;
   firststep = laststep = 0;
   beginstep = endstep = 0;
+  setupflag = 0;
 
   restrict_output = 0;
 

src/update.h

@@ -30,6 +30,7 @@ class Update : protected Pointers {
   int first_update;               // 0 before initial update, 1 after
   int max_eval;                   // max force evaluations for minimizer
   int restrict_output;            // 1 if output should not write dump/restart
+  int setupflag;                  // set when setup() is computing forces
 
   int eflag_global,eflag_atom;    // timestep global/peratom eng is tallied on
   int vflag_global,vflag_atom;    // ditto for virial

src/verlet.cpp

@@ -81,6 +81,8 @@ void Verlet::setup()
 {
   if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n");
 
+  update->setupflag = 1;
+
   // setup domain, communication and neighboring
   // acquire ghosts
   // build neighbor lists
@@ -122,6 +124,7 @@ void Verlet::setup()
 
   modify->setup(vflag);
   output->setup(1);
+  update->setupflag = 0;
 }
 
 /* ----------------------------------------------------------------------
@@ -132,6 +135,8 @@ void Verlet::setup()
 
 void Verlet::setup_minimal(int flag)
 {
+  update->setupflag = 1;
+
   // setup domain, communication and neighboring
   // acquire ghosts
   // build neighbor lists
@@ -172,6 +177,7 @@ void Verlet::setup_minimal(int flag)
   if (force->newton) comm->reverse_comm();
 
   modify->setup(vflag);
+  update->setupflag = 0;
 }
 
 /* ----------------------------------------------------------------------