git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9494 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute_temp.cpp

@@ -50,6 +50,14 @@ ComputeTemp::~ComputeTemp()
 
 /* ---------------------------------------------------------------------- */
 
+void ComputeTemp::init()
+{
+  fix_dof = 0;
+  for (int i = 0; i < modify->nfix; i++)
+    fix_dof += modify->fix[i]->dof(igroup);
+  dof_compute();
+}
+
 void ComputeTemp::setup()
 {
   fix_dof = 0;

src/compute_temp.h

@@ -28,7 +28,7 @@ class ComputeTemp : public Compute {
  public:
   ComputeTemp(class LAMMPS *, int, char **);
   virtual ~ComputeTemp();
-  void init() {}
+  void init();
   void setup();
   double compute_scalar();
   void compute_vector();

src/modify.cpp

@@ -228,15 +228,15 @@ void Modify::init()
 
 void Modify::setup(int vflag)
 {
+  // invoke computes before fixes
+  // this is b/c NH fixes need temperature compute DOF
+
+  for (int i = 0; i < ncompute; i++) compute[i]->setup();
+
   if (update->whichflag == 1)
     for (int i = 0; i < nfix; i++) fix[i]->setup(vflag);
   else if (update->whichflag == 2)
     for (int i = 0; i < nfix; i++) fix[i]->min_setup(vflag);
-
-  // call computes after fixes
-  // fix rigid dof() can't be called by temperature computes at init
-
-  for (int i = 0; i < ncompute; i++) compute[i]->setup();
 }
 
 /* ----------------------------------------------------------------------